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

C12H20N4O3 — CID 64910627

IUPAC2-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCOc1nc(NCC2CCCCC2O)nc(OC)n1
InChIInChI=1S/C12H20N4O3/c1-18-11-14-10(15-12(16-11)19-2)13-7-8-5-3-4-6-9(8)17/h8-9,17H,3-7H2,1-2H3,(H,13,14,15,16)
InChIKeyPZTBQWJTUUCMJL-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.85
Rot. Bonds5

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

2-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 64910627) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID64910627
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCOc1nc(NCC2CCCCC2O)nc(OC)n1
InChIInChI=1S/C12H20N4O3/c1-18-11-14-10(15-12(16-11)19-2)13-7-8-5-3-4-6-9(8)17/h8-9,17H,3-7H2,1-2H3,(H,13,14,15,16)
InChIKeyPZTBQWJTUUCMJL-UHFFFAOYSA-N
XLogP0.85
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[(4,6-dimethoxy-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-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (CID 64910627) is 2-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is COc1nc(NCC2CCCCC2O)nc(OC)n1.
What is the InChIKey of 2-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is PZTBQWJTUUCMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-18-11-14-10(15-12(16-11)19-2)13-7-8-5-3-4-6-9(8)17/h8-9,17H,3-7H2,1-2H3,(H,13,14,15,16).
What are the key properties of 2-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
2-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 268.32 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64910627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).