6-chloro-N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-2-methylpyrimidin-4-amine

C14H12ClF2N3 — CID 95781704

IUPAC6-chloro-N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(N[C@H]2C[C@H]2c2cccc(F)c2F)n1
InChIInChI=1S/C14H12ClF2N3/c1-7-18-12(15)6-13(19-7)20-11-5-9(11)8-3-2-4-10(16)14(8)17/h2-4,6,9,11H,5H2,1H3,(H,18,19,20)/t9-,11-/m0/s1
InChIKeyFEBJQVFOQIYSSB-ONGXEEELSA-N
MW295.72 g/mol
LogP3.68
Rot. Bonds3

About 6-chloro-N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-2-methylpyrimidin-4-amine

6-chloro-N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-2-methylpyrimidin-4-amine (PubChem CID 95781704) has the molecular formula C14H12ClF2N3 and a molecular weight of 295.72 g/mol. Its IUPAC name is 6-chloro-N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-2-methylpyrimidin-4-amine
PubChem CID95781704
Molecular FormulaC14H12ClF2N3
Molecular Weight295.72 g/mol
Exact Mass295.07
IUPAC Name6-chloro-N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(N[C@H]2C[C@H]2c2cccc(F)c2F)n1
InChIInChI=1S/C14H12ClF2N3/c1-7-18-12(15)6-13(19-7)20-11-5-9(11)8-3-2-4-10(16)14(8)17/h2-4,6,9,11H,5H2,1H3,(H,18,19,20)/t9-,11-/m0/s1
InChIKeyFEBJQVFOQIYSSB-ONGXEEELSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.72
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-2-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-2-methylpyrimidin-4-amine (CID 95781704) is 6-chloro-N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-2-methylpyrimidin-4-amine is Cc1nc(Cl)cc(N[C@H]2C[C@H]2c2cccc(F)c2F)n1.
What is the InChIKey of 6-chloro-N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-2-methylpyrimidin-4-amine?
The InChIKey is FEBJQVFOQIYSSB-ONGXEEELSA-N. The full InChI is InChI=1S/C14H12ClF2N3/c1-7-18-12(15)6-13(19-7)20-11-5-9(11)8-3-2-4-10(16)14(8)17/h2-4,6,9,11H,5H2,1H3,(H,18,19,20)/t9-,11-/m0/s1.
What are the key properties of 6-chloro-N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-2-methylpyrimidin-4-amine?
6-chloro-N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-2-methylpyrimidin-4-amine has a molecular weight of 295.72 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1S,2S)-2-(2,3-difluorophenyl)cyclopropyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 95781704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).