4-chloro-6-imidazol-1-yl-N-(2-methylcyclohexyl)-1,3,5-triazin-2-amine

C13H17ClN6 — CID 62870066

IUPAC4-chloro-6-imidazol-1-yl-N-(2-methylcyclohexyl)-1,3,5-triazin-2-amine
SMILESCC1CCCCC1Nc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C13H17ClN6/c1-9-4-2-3-5-10(9)16-12-17-11(14)18-13(19-12)20-7-6-15-8-20/h6-10H,2-5H2,1H3,(H,16,17,18,19)
InChIKeyXITMYRKYPYKGIH-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.70
Rot. Bonds3

About 4-chloro-6-imidazol-1-yl-N-(2-methylcyclohexyl)-1,3,5-triazin-2-amine

4-chloro-6-imidazol-1-yl-N-(2-methylcyclohexyl)-1,3,5-triazin-2-amine (PubChem CID 62870066) has the molecular formula C13H17ClN6 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-N-(2-methylcyclohexyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-N-(2-methylcyclohexyl)-1,3,5-triazin-2-amine
PubChem CID62870066
Molecular FormulaC13H17ClN6
Molecular Weight292.77 g/mol
Exact Mass292.12
IUPAC Name4-chloro-6-imidazol-1-yl-N-(2-methylcyclohexyl)-1,3,5-triazin-2-amine
SMILESCC1CCCCC1Nc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C13H17ClN6/c1-9-4-2-3-5-10(9)16-12-17-11(14)18-13(19-12)20-7-6-15-8-20/h6-10H,2-5H2,1H3,(H,16,17,18,19)
InChIKeyXITMYRKYPYKGIH-UHFFFAOYSA-N
XLogP2.70
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol
CID 62864858
4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 62863362
4-chloro-6-imidazol-1-yl-N-[(4-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 63244419
3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630373
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 62865097
2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 55125230
6-chloro-2-N,2-N-diethyl-4-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 62870396
4-chloro-6-imidazol-1-yl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 62869319
3-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 106137217
1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65108921
2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 62865112

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-yl-N-(2-methylcyclohexyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-N-(2-methylcyclohexyl)-1,3,5-triazin-2-amine (CID 62870066) is 4-chloro-6-imidazol-1-yl-N-(2-methylcyclohexyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-N-(2-methylcyclohexyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-N-(2-methylcyclohexyl)-1,3,5-triazin-2-amine is CC1CCCCC1Nc1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-N-(2-methylcyclohexyl)-1,3,5-triazin-2-amine?
The InChIKey is XITMYRKYPYKGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6/c1-9-4-2-3-5-10(9)16-12-17-11(14)18-13(19-12)20-7-6-15-8-20/h6-10H,2-5H2,1H3,(H,16,17,18,19).
What are the key properties of 4-chloro-6-imidazol-1-yl-N-(2-methylcyclohexyl)-1,3,5-triazin-2-amine?
4-chloro-6-imidazol-1-yl-N-(2-methylcyclohexyl)-1,3,5-triazin-2-amine has a molecular weight of 292.77 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-yl-N-(2-methylcyclohexyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62870066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).