4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine

C13H15ClN4O — CID 62857336

IUPAC4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCCc2cccc(C)c2)n1
InChIInChI=1S/C13H15ClN4O/c1-9-4-3-5-10(8-9)6-7-15-12-16-11(14)17-13(18-12)19-2/h3-5,8H,6-7H2,1-2H3,(H,15,16,17,18)
InChIKeyRMIIMAGTXHWJSM-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.50
Rot. Bonds5

About 4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine

4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine (PubChem CID 62857336) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine
PubChem CID62857336
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(NCCc2cccc(C)c2)n1
InChIInChI=1S/C13H15ClN4O/c1-9-4-3-5-10(8-9)6-7-15-12-16-11(14)17-13(18-12)19-2/h3-5,8H,6-7H2,1-2H3,(H,15,16,17,18)
InChIKeyRMIIMAGTXHWJSM-UHFFFAOYSA-N
XLogP2.50
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine 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

4-chloro-6-methoxy-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 62857968
4,6-dimethyl-N-[2-(3-methylphenyl)ethyl]pyrimidin-2-amine
CID 62313023
6-chloro-4-N-ethyl-2-N-[2-(3-methoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 107855546
4-chloro-6-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 62858640
4-chloro-6-methoxy-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 62858127
4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine
CID 46179762
4-chloro-6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 63242631
2,5-dichloro-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 79631877
N-ethyl-4-methoxy-6-[(3-methylphenyl)methylsulfanyl]-1,3,5-triazin-2-amine
CID 80890079
N-[2-(3-chlorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 78845412
4-chloro-6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 80689265
3-chloro-N-[2-(3-methylphenyl)ethyl]aniline
CID 68835949

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine (CID 62857336) is 4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine is COc1nc(Cl)nc(NCCc2cccc(C)c2)n1.
What is the InChIKey of 4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is RMIIMAGTXHWJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-9-4-3-5-10(8-9)6-7-15-12-16-11(14)17-13(18-12)19-2/h3-5,8H,6-7H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine?
4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 278.74 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-N-[2-(3-methylphenyl)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 62857336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).