2-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol

C11H17ClN4O2 — CID 64912933

IUPAC2-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCOc1nc(Cl)nc(NCC2CCCCC2O)n1
InChIInChI=1S/C11H17ClN4O2/c1-18-11-15-9(12)14-10(16-11)13-6-7-4-2-3-5-8(7)17/h7-8,17H,2-6H2,1H3,(H,13,14,15,16)
InChIKeyGVNBQVUSHNWVHT-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.50
Rot. Bonds4

About 2-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol

2-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 64912933) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID64912933
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name2-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCOc1nc(Cl)nc(NCC2CCCCC2O)n1
InChIInChI=1S/C11H17ClN4O2/c1-18-11-15-9(12)14-10(16-11)13-6-7-4-2-3-5-8(7)17/h7-8,17H,2-6H2,1H3,(H,13,14,15,16)
InChIKeyGVNBQVUSHNWVHT-UHFFFAOYSA-N
XLogP1.50
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol 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-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (CID 64912933) is 2-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is COc1nc(Cl)nc(NCC2CCCCC2O)n1.
What is the InChIKey of 2-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is GVNBQVUSHNWVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-18-11-15-9(12)14-10(16-11)13-6-7-4-2-3-5-8(7)17/h7-8,17H,2-6H2,1H3,(H,13,14,15,16).
What are the key properties of 2-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
2-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 272.74 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64912933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).