4-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol

C24H35ClN6O2 — CID 10096488

IUPAC4-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol
SMILESCOc1ccc(Nc2nc(NC3CCCCCC3)nc(N(C)C3CCC(O)CC3)n2)cc1Cl
InChIInChI=1S/C24H35ClN6O2/c1-31(18-10-12-19(32)13-11-18)24-29-22(26-16-7-5-3-4-6-8-16)28-23(30-24)27-17-9-14-21(33-2)20(25)15-17/h9,14-16,18-19,32H,3-8,10-13H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyPRJHZGLUMILXHA-UHFFFAOYSA-N
MW475.04 g/mol
LogP5.15
Rot. Bonds7

About 4-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol

4-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol (PubChem CID 10096488) has the molecular formula C24H35ClN6O2 and a molecular weight of 475.04 g/mol. Its IUPAC name is 4-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol
PubChem CID10096488
Molecular FormulaC24H35ClN6O2
Molecular Weight475.04 g/mol
Exact Mass474.25
IUPAC Name4-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol
SMILESCOc1ccc(Nc2nc(NC3CCCCCC3)nc(N(C)C3CCC(O)CC3)n2)cc1Cl
InChIInChI=1S/C24H35ClN6O2/c1-31(18-10-12-19(32)13-11-18)24-29-22(26-16-7-5-3-4-6-8-16)28-23(30-24)27-17-9-14-21(33-2)20(25)15-17/h9,14-16,18-19,32H,3-8,10-13H2,1-2H3,(H2,26,27,28,29,30)
InChIKeyPRJHZGLUMILXHA-UHFFFAOYSA-N
XLogP5.15
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.04
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 975799
2-[[4-(5-Chloro-2-methoxyanilino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648012
(3-Chloro-4-methoxy-phenyl)-(4,6-diethoxy-[1,3,5]triazin-2-yl)-amine
CID 1089220
(3-Chloro-4-methoxy-phenyl)-(4,6-di-morpholin-4-yl-[1,3,5]triazin-2-yl)-amine
CID 1089221
N-(3-chloro-4-methoxyphenyl)-4-ethoxy-6-[4-(4-methoxyphenyl)-1-piperazinyl]-1,3,5-triazin-2-amine
CID 2901943
2-[[4-(5-Chloro-2-methoxyanilino)-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 44433555
2-[[4-(Azepan-1-yl)-6-(5-chloro-2-methoxyanilino)-1,3,5-triazin-2-yl]amino]ethanol
CID 44433557
N-(3-chloro-4-methoxyphenyl)-4,6-di(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
CID 7424261
N2-(3-chlorophenyl)-N4-(4-ethoxyphenyl)-6-morpholino-1,3,5-triazine-2,4-diamine
CID 16830360
Dosamix
CID 119486
4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-[2-(2-fluorophenoxy)ethoxy]-1,3,5-triazine-2,4-diamine
CID 11569627
4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-(4-fluorophenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 11583702

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol (CID 10096488) is 4-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol is COc1ccc(Nc2nc(NC3CCCCCC3)nc(N(C)C3CCC(O)CC3)n2)cc1Cl.
What is the InChIKey of 4-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol?
The InChIKey is PRJHZGLUMILXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClN6O2/c1-31(18-10-12-19(32)13-11-18)24-29-22(26-16-7-5-3-4-6-8-16)28-23(30-24)27-17-9-14-21(33-2)20(25)15-17/h9,14-16,18-19,32H,3-8,10-13H2,1-2H3,(H2,26,27,28,29,30).
What are the key properties of 4-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol?
4-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol has a molecular weight of 475.04 g/mol, XLogP of 5.15, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-chloro-4-methoxyanilino)-6-(cycloheptylamino)-1,3,5-triazin-2-yl]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 10096488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).