2-N-(4-aminocyclohexyl)-6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine

C24H36ClN7O — CID 10322649

IUPAC2-N-(4-aminocyclohexyl)-6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(NC3CCCCCC3)nc(N(C)C3CCC(N)CC3)n2)cc1Cl
InChIInChI=1S/C24H36ClN7O/c1-32(19-12-9-16(26)10-13-19)24-30-22(27-17-7-5-3-4-6-8-17)29-23(31-24)28-18-11-14-21(33-2)20(25)15-18/h11,14-17,19H,3-10,12-13,26H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyFULKSKYJQHZAOQ-UHFFFAOYSA-N
MW474.05 g/mol
LogP5.12
Rot. Bonds7

About 2-N-(4-aminocyclohexyl)-6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine

2-N-(4-aminocyclohexyl)-6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 10322649) has the molecular formula C24H36ClN7O and a molecular weight of 474.05 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID10322649
Molecular FormulaC24H36ClN7O
Molecular Weight474.05 g/mol
Exact Mass473.27
IUPAC Name2-N-(4-aminocyclohexyl)-6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(Nc2nc(NC3CCCCCC3)nc(N(C)C3CCC(N)CC3)n2)cc1Cl
InChIInChI=1S/C24H36ClN7O/c1-32(19-12-9-16(26)10-13-19)24-30-22(27-17-7-5-3-4-6-8-17)29-23(31-24)28-18-11-14-21(33-2)20(25)15-18/h11,14-17,19H,3-10,12-13,26H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyFULKSKYJQHZAOQ-UHFFFAOYSA-N
XLogP5.12
TPSA101.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.05
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-N-(4-aminocyclohexyl)-6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(4-aminocyclohexyl)-6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 10322649) is 2-N-(4-aminocyclohexyl)-6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine is COc1ccc(Nc2nc(NC3CCCCCC3)nc(N(C)C3CCC(N)CC3)n2)cc1Cl.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is FULKSKYJQHZAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36ClN7O/c1-32(19-12-9-16(26)10-13-19)24-30-22(27-17-7-5-3-4-6-8-17)29-23(31-24)28-18-11-14-21(33-2)20(25)15-18/h11,14-17,19H,3-10,12-13,26H2,1-2H3,(H2,27,28,29,30,31).
What are the key properties of 2-N-(4-aminocyclohexyl)-6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-N-(4-aminocyclohexyl)-6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 474.05 g/mol, XLogP of 5.12, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminocyclohexyl)-6-N-(3-chloro-4-methoxyphenyl)-4-N-cycloheptyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 10322649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).