2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine

C15H15ClFN3 — CID 114488701

IUPAC2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(-c2cccc(Cl)c2F)n1
InChIInChI=1S/C15H15ClFN3/c1-2-18-13-8-12(9-6-7-9)19-15(20-13)10-4-3-5-11(16)14(10)17/h3-5,8-9H,2,6-7H2,1H3,(H,18,19,20)
InChIKeyFBLIOTCAWBFHNV-UHFFFAOYSA-N
MW291.76 g/mol
LogP4.25
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine

2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine (PubChem CID 114488701) has the molecular formula C15H15ClFN3 and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
PubChem CID114488701
Molecular FormulaC15H15ClFN3
Molecular Weight291.76 g/mol
Exact Mass291.09
IUPAC Name2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(-c2cccc(Cl)c2F)n1
InChIInChI=1S/C15H15ClFN3/c1-2-18-13-8-12(9-6-7-9)19-15(20-13)10-4-3-5-11(16)14(10)17/h3-5,8-9H,2,6-7H2,1H3,(H,18,19,20)
InChIKeyFBLIOTCAWBFHNV-UHFFFAOYSA-N
XLogP4.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-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-cyclopropyl-N-ethyl-2-(2-methoxyphenyl)pyrimidin-4-amine
CID 63354262
6-cyclopropyl-2-(2,4-dichlorophenyl)-N-ethylpyrimidin-4-amine
CID 63481714
6-(3-chloro-2-fluorophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 116691214
6-cyclopropyl-2-(2,4-dimethylphenyl)-N-ethylpyrimidin-4-amine
CID 63354598
6-cyclopropyl-N-ethyl-2-(3-methylphenyl)pyrimidin-4-amine
CID 63354393
6-cyclopropyl-N-ethyl-2-thiophen-2-ylpyrimidin-4-amine
CID 63354572
6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 63354580
6-cyclopropyl-N-ethyl-2-(2-ethylpyrazol-3-yl)pyrimidin-4-amine
CID 114557347
2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-propylpyrimidin-4-amine
CID 63486675
6-cyclopropyl-N-ethyl-2-[(2-fluorophenyl)methyl]pyrimidin-4-amine
CID 63354267
6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-N-propylpyrimidin-4-amine
CID 81273052
3-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 81266490

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine (CID 114488701) is 2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine is CCNc1cc(C2CC2)nc(-c2cccc(Cl)c2F)n1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine?
The InChIKey is FBLIOTCAWBFHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3/c1-2-18-13-8-12(9-6-7-9)19-15(20-13)10-4-3-5-11(16)14(10)17/h3-5,8-9H,2,6-7H2,1H3,(H,18,19,20).
What are the key properties of 2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine?
2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine has a molecular weight of 291.76 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 114488701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).