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

C13H13ClFN3 — CID 80943528

IUPAC6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(Nc2ccc(C)c(F)c2)n1
InChIInChI=1S/C13H13ClFN3/c1-3-12-17-11(14)7-13(18-12)16-9-5-4-8(2)10(15)6-9/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyLSVDZQQWZKVPBS-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.88
Rot. Bonds3

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

6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine (PubChem CID 80943528) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
PubChem CID80943528
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(Nc2ccc(C)c(F)c2)n1
InChIInChI=1S/C13H13ClFN3/c1-3-12-17-11(14)7-13(18-12)16-9-5-4-8(2)10(15)6-9/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyLSVDZQQWZKVPBS-UHFFFAOYSA-N
XLogP3.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-ethyl-N-(3-fluoro-4-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-2-ethyl-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 80936099
6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine
CID 80944911
6-N,2-diethyl-4-N-(3-fluoro-4-methylphenyl)pyrimidine-4,6-diamine
CID 80933754
6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 80936780
2-chloro-6-(3-fluoro-4-methylanilino)pyridine-4-carbonitrile
CID 83074701
6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
CID 114256298
6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine
CID 80944024
N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine
CID 80936805
6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine
CID 80936731
2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine
CID 108778186
N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80936781
N-(4-bromo-3-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 65436407

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine (CID 80943528) is 6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine is CCc1nc(Cl)cc(Nc2ccc(C)c(F)c2)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine?
The InChIKey is LSVDZQQWZKVPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-3-12-17-11(14)7-13(18-12)16-9-5-4-8(2)10(15)6-9/h4-7H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine?
6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine has a molecular weight of 265.72 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80943528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).