(1r,4r)-4-{[2-(butylamino)-5-{5-[(morpholin-4-yl)methyl]pyridin-2-yl}pyrimidin-4-yl]amino}cyclohexan-1-ol

Compound number
MolPort-035-395-860
CAS number
1493694-70-4
IUPAC
(1r,4r)-4-{[2-(butylamino)-5-{5-[(morpholin-4-yl)methyl]pyridin-2-yl}pyrimidin-4-yl]amino}cyclohexan-1-ol
IUPAC traditional
(1r,4r)-4-{[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)pyridin-2-yl]pyrimidin-4-yl]amino}cyclohexan-1-ol
SMILES
CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2CCOCC2)cn1 |r,wU:11.10,wD:14.14,(;1.33,.77,;2.67,,;4,.77,;5.33,,;6.67,.77,;8,,;9.34,.77,;9.34,2.31,;8,3.08,;8,4.62,;6.67,5.39,;5.33,4.62,;4,5.39,;4,6.93,;2.67,7.7,;5.33,7.7,;6.67,6.93,;6.67,2.31,;10.67,3.08,;12,2.31,;13.33,3.08,;13.33,4.62,;14.66,5.38,;15.99,4.62,;15.99,3.08,;17.32,2.31,;18.66,3.08,;18.66,4.62,;17.32,5.39,;12,5.39,;10.67,4.62,)|
InChI key
HSYSSKFCQHXOBP-MXVIHJGJSA-N
Molecular formula
Molecular weight
440.592
Solubility
not available

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More Information

Compound identifiers

Compound number
MolPort-035-395-860
CAS number
1493694-70-4

Names, Synonyms and 3rd Party Identifiers

Name
(1r,4r)-4-((2-(Butylamino)-5-(5-(morpholinomethyl)pyridin-2-yl)pyrimidin-4-yl)amino)cyclohexanol
(1r,4r)-4-(2-(butylamino)-5-(5-(morpholinomethyl)pyridin-2-yl)pyrimidin-4-ylamino)cyclohexanol
(1r,4r)-4-{[2-(butylamino)-5-[5-(morpholin-4-ylmethyl)pyridin-2-yl]pyrimidin-4-yl]amino}cyclohexan-1-ol
Cyclohexanol, 4-[[2-(butylamino)-5-[5-(4-morpholinylmethyl)-2-pyridinyl]-4-pyrimidinyl]amino]-, trans-
UNC 2250
UNC2250
trans-4-[[2-(butylamino)-5-[5-(4-morpholinylmethyl)-2-pyridinyl]-4-pyrimidinyl]amino]-cyclohexanol
MFCD27992060

InChI

InChI
1/C24H36N6O2/c1-2-3-10-25-24-27-16-21(23(29-24)28-19-5-7-20(31)8-6-19)22-9-4-18(15-26-22)17-30-11-13-32-14-12-30/h4,9,15-16,19-20,31H,2-3,5-8,10-14,17H2,1H3,(H2,25,27,28,29)/t19-,20-
InChI key
HSYSSKFCQHXOBP-MXVIHJGJSA-N

Formula

Molecular formula
C24H36N6O2
Molecular weight
440.592

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