6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C12H14ClN5O — CID 826976

IUPAC6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Cl)cc1-c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C12H14ClN5O/c1-18(2)12-16-10(15-11(14)17-12)8-6-7(13)4-5-9(8)19-3/h4-6H,1-3H3,(H2,14,15,16,17)
InChIKeyGESVGQXHUMPFOB-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.85
Rot. Bonds3

About 6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 826976) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID826976
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Cl)cc1-c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C12H14ClN5O/c1-18(2)12-16-10(15-11(14)17-12)8-6-7(13)4-5-9(8)19-3/h4-6H,1-3H3,(H2,14,15,16,17)
InChIKeyGESVGQXHUMPFOB-UHFFFAOYSA-N
XLogP1.85
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dimethyl-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-(5-chloro-2-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 826976) is 6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is COc1ccc(Cl)cc1-c1nc(N)nc(N(C)C)n1.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GESVGQXHUMPFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-18(2)12-16-10(15-11(14)17-12)8-6-7(13)4-5-9(8)19-3/h4-6H,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 279.73 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 826976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).