6-(azepan-1-ylmethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

C17H24N6O — CID 941892

IUPAC6-(azepan-1-ylmethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(CN2CCCCCC2)n1
InChIInChI=1S/C17H24N6O/c1-24-14-9-5-4-8-13(14)19-17-21-15(20-16(18)22-17)12-23-10-6-2-3-7-11-23/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H3,18,19,20,21,22)
InChIKeyJDXTYWIAQLDZER-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.58
Rot. Bonds5

About 6-(azepan-1-ylmethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

6-(azepan-1-ylmethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 941892) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-(azepan-1-ylmethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(azepan-1-ylmethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID941892
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name6-(azepan-1-ylmethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(CN2CCCCCC2)n1
InChIInChI=1S/C17H24N6O/c1-24-14-9-5-4-8-13(14)19-17-21-15(20-16(18)22-17)12-23-10-6-2-3-7-11-23/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H3,18,19,20,21,22)
InChIKeyJDXTYWIAQLDZER-UHFFFAOYSA-N
XLogP2.58
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(azepan-1-ylmethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine 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 6-(azepan-1-ylmethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(azepan-1-ylmethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 941892) is 6-(azepan-1-ylmethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(azepan-1-ylmethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(azepan-1-ylmethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccccc1Nc1nc(N)nc(CN2CCCCCC2)n1.
What is the InChIKey of 6-(azepan-1-ylmethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JDXTYWIAQLDZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-24-14-9-5-4-8-13(14)19-17-21-15(20-16(18)22-17)12-23-10-6-2-3-7-11-23/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H3,18,19,20,21,22).
What are the key properties of 6-(azepan-1-ylmethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-(azepan-1-ylmethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 328.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-ylmethyl)-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 941892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).