2-cyclopropyl-6-(3-fluorophenyl)-N-methylpyrimidin-4-amine

C14H14FN3 — CID 80952396

IUPAC2-cyclopropyl-6-(3-fluorophenyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(-c2cccc(F)c2)nc(C2CC2)n1
InChIInChI=1S/C14H14FN3/c1-16-13-8-12(10-3-2-4-11(15)7-10)17-14(18-13)9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H,16,17,18)
InChIKeyFQPPIJTYWRNTSC-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.20
Rot. Bonds3

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

2-cyclopropyl-6-(3-fluorophenyl)-N-methylpyrimidin-4-amine (PubChem CID 80952396) has the molecular formula C14H14FN3 and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-cyclopropyl-6-(3-fluorophenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(3-fluorophenyl)-N-methylpyrimidin-4-amine
PubChem CID80952396
Molecular FormulaC14H14FN3
Molecular Weight243.28 g/mol
Exact Mass243.12
IUPAC Name2-cyclopropyl-6-(3-fluorophenyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(-c2cccc(F)c2)nc(C2CC2)n1
InChIInChI=1S/C14H14FN3/c1-16-13-8-12(10-3-2-4-11(15)7-10)17-14(18-13)9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H,16,17,18)
InChIKeyFQPPIJTYWRNTSC-UHFFFAOYSA-N
XLogP3.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-6-(3-fluorophenyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(3-fluorophenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(3-fluorophenyl)-N-methylpyrimidin-4-amine (CID 80952396) is 2-cyclopropyl-6-(3-fluorophenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(3-fluorophenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(3-fluorophenyl)-N-methylpyrimidin-4-amine is CNc1cc(-c2cccc(F)c2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(3-fluorophenyl)-N-methylpyrimidin-4-amine?
The InChIKey is FQPPIJTYWRNTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3/c1-16-13-8-12(10-3-2-4-11(15)7-10)17-14(18-13)9-5-6-9/h2-4,7-9H,5-6H2,1H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-6-(3-fluorophenyl)-N-methylpyrimidin-4-amine?
2-cyclopropyl-6-(3-fluorophenyl)-N-methylpyrimidin-4-amine has a molecular weight of 243.28 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(3-fluorophenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80952396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).