6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine

C13H13F2N3 — CID 80935782

IUPAC6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C13H13F2N3/c1-3-12-17-11(7-13(16-2)18-12)9-5-4-8(14)6-10(9)15/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyHDMUIJXIXWLSMA-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.03
Rot. Bonds3

About 6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine

6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine (PubChem CID 80935782) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine
PubChem CID80935782
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C13H13F2N3/c1-3-12-17-11(7-13(16-2)18-12)9-5-4-8(14)6-10(9)15/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyHDMUIJXIXWLSMA-UHFFFAOYSA-N
XLogP3.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-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-(2,4-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189587
2-ethyl-6-(2-fluoro-5-methylphenyl)-N-methylpyrimidin-4-amine
CID 80936143
6-(2,5-difluorophenyl)-N,2-diethylpyrimidin-4-amine
CID 80936764
6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 82827615
2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]-N-methylethanamine
CID 116892653
2-ethyl-N-methyl-6-naphthalen-1-ylpyrimidin-4-amine
CID 80936663
6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935957
2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine
CID 80935966
2-ethyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80936849
6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935773
2-ethyl-6-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 80939031
4-chloro-6-(2,5-difluorophenyl)-2-ethylpyrimidine
CID 80936304

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine (CID 80935782) is 6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine is CCc1nc(NC)cc(-c2ccc(F)cc2F)n1.
What is the InChIKey of 6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is HDMUIJXIXWLSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-3-12-17-11(7-13(16-2)18-12)9-5-4-8(14)6-10(9)15/h4-7H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine?
6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 249.26 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80935782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).