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

C14H24N4O3 — CID 65118473

IUPAC1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCOc1nc(NCC2(O)CCC(C)(C)CC2)nc(OC)n1
InChIInChI=1S/C14H24N4O3/c1-13(2)5-7-14(19,8-6-13)9-15-10-16-11(20-3)18-12(17-10)21-4/h19H,5-9H2,1-4H3,(H,15,16,17,18)
InChIKeyYKUAFHLQMWOCKJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.63
Rot. Bonds5

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

1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (PubChem CID 65118473) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
PubChem CID65118473
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
SMILESCOc1nc(NCC2(O)CCC(C)(C)CC2)nc(OC)n1
InChIInChI=1S/C14H24N4O3/c1-13(2)5-7-14(19,8-6-13)9-15-10-16-11(20-3)18-12(17-10)21-4/h19H,5-9H2,1-4H3,(H,15,16,17,18)
InChIKeyYKUAFHLQMWOCKJ-UHFFFAOYSA-N
XLogP1.63
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-4,4-dimethylcyclohexan-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 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol (CID 65118473) is 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is COc1nc(NCC2(O)CCC(C)(C)CC2)nc(OC)n1.
What is the InChIKey of 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is YKUAFHLQMWOCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-13(2)5-7-14(19,8-6-13)9-15-10-16-11(20-3)18-12(17-10)21-4/h19H,5-9H2,1-4H3,(H,15,16,17,18).
What are the key properties of 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol?
1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 296.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65118473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).