2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine

C16H15ClN6O — CID 56695154

IUPAC2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(NCc2cccnc2)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H15ClN6O/c1-24-16-22-14(19-10-11-3-2-8-18-9-11)21-15(23-16)20-13-6-4-12(17)5-7-13/h2-9H,10H2,1H3,(H2,19,20,21,22,23)
InChIKeyHWDSJBXQRCBDDM-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.28
Rot. Bonds6

About 2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine

2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 56695154) has the molecular formula C16H15ClN6O and a molecular weight of 342.79 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID56695154
Molecular FormulaC16H15ClN6O
Molecular Weight342.79 g/mol
Exact Mass342.10
IUPAC Name2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(NCc2cccnc2)nc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C16H15ClN6O/c1-24-16-22-14(19-10-11-3-2-8-18-9-11)21-15(23-16)20-13-6-4-12(17)5-7-13/h2-9H,10H2,1H3,(H2,19,20,21,22,23)
InChIKeyHWDSJBXQRCBDDM-UHFFFAOYSA-N
XLogP3.28
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-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

Related Compounds

6-methoxy-4-N-methyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771837
2-N-(4-chlorophenyl)-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919484
4-chloro-N-(4-chlorophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 14362435
4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 62857968
6-methoxy-4-N-propyl-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 117092308
6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 117093191
4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 171982985
6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773543
2-N-(4-chlorophenyl)-6-methoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 4218136
4-N-[4-(methylamino)phenyl]-2-N-(5-methyl-1H-pyrazol-3-yl)-6-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 20607287
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773060

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 56695154) is 2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine is COc1nc(NCc2cccnc2)nc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HWDSJBXQRCBDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O/c1-24-16-22-14(19-10-11-3-2-8-18-9-11)21-15(23-16)20-13-6-4-12(17)5-7-13/h2-9H,10H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine?
2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 342.79 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-6-methoxy-4-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56695154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).