6-chloro-2-ethyl-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine

C14H16ClN3 — CID 80935558

IUPAC6-chloro-2-ethyl-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(N(C)c2cccc(C)c2)n1
InChIInChI=1S/C14H16ClN3/c1-4-13-16-12(15)9-14(17-13)18(3)11-7-5-6-10(2)8-11/h5-9H,4H2,1-3H3
InChIKeyBJJQTNDXPWLFFK-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.77
Rot. Bonds3

About 6-chloro-2-ethyl-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine

6-chloro-2-ethyl-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine (PubChem CID 80935558) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine
PubChem CID80935558
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name6-chloro-2-ethyl-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(N(C)c2cccc(C)c2)n1
InChIInChI=1S/C14H16ClN3/c1-4-13-16-12(15)9-14(17-13)18(3)11-7-5-6-10(2)8-11/h5-9H,4H2,1-3H3
InChIKeyBJJQTNDXPWLFFK-UHFFFAOYSA-N
XLogP3.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-ethyl-N-methyl-N-(3-methylphenyl)pyrimidin-4-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

6-chloro-N-(3-methoxyphenyl)-N,2-dimethylpyrimidin-4-amine
CID 55079871
4,6-dichloro-N-methyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 55124750
2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 80934677
3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80944453
N,6-dimethyl-N-(3-methylphenyl)pyrimidin-4-amine;propane
CID 143158754
4-chloro-N-methyl-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 83156832
6-chloro-2-N-methyl-2-N-(3-methylphenyl)pyridine-2,3-diamine
CID 113316893
N,2-diethyl-6-hydrazinyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 80937279
6-hydrazinyl-4-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 80908545
4-N-(3,5-dimethylphenyl)-6-N,2-diethyl-4-N-methylpyrimidine-4,6-diamine
CID 80940477
N-(3,5-dimethylphenyl)-2-ethyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80936991
4,6-dichloro-2-ethyl-5-(3-methylphenyl)pyrimidine
CID 79417714

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine (CID 80935558) is 6-chloro-2-ethyl-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine is CCc1nc(Cl)cc(N(C)c2cccc(C)c2)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine?
The InChIKey is BJJQTNDXPWLFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-4-13-16-12(15)9-14(17-13)18(3)11-7-5-6-10(2)8-11/h5-9H,4H2,1-3H3.
What are the key properties of 6-chloro-2-ethyl-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine?
6-chloro-2-ethyl-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine has a molecular weight of 261.76 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80935558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).