2-[4-(2-fluorophenyl)pyrimidin-2-yl]propan-1-amine

C13H14FN3 — CID 116897877

IUPAC2-[4-(2-fluorophenyl)pyrimidin-2-yl]propan-1-amine
SMILESCC(CN)c1nccc(-c2ccccc2F)n1
InChIInChI=1S/C13H14FN3/c1-9(8-15)13-16-7-6-12(17-13)10-4-2-3-5-11(10)14/h2-7,9H,8,15H2,1H3
InChIKeyCYRQKXLHEYVILR-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.34
Rot. Bonds3

About 2-[4-(2-fluorophenyl)pyrimidin-2-yl]propan-1-amine

2-[4-(2-fluorophenyl)pyrimidin-2-yl]propan-1-amine (PubChem CID 116897877) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)pyrimidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)pyrimidin-2-yl]propan-1-amine
PubChem CID116897877
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name2-[4-(2-fluorophenyl)pyrimidin-2-yl]propan-1-amine
SMILESCC(CN)c1nccc(-c2ccccc2F)n1
InChIInChI=1S/C13H14FN3/c1-9(8-15)13-16-7-6-12(17-13)10-4-2-3-5-11(10)14/h2-7,9H,8,15H2,1H3
InChIKeyCYRQKXLHEYVILR-UHFFFAOYSA-N
XLogP2.34
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(2-fluorophenyl)pyrimidin-2-yl]propan-1-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-[4-(2-fluorophenyl)pyrimidin-2-yl]propan-1-amine?
The IUPAC name of 2-[4-(2-fluorophenyl)pyrimidin-2-yl]propan-1-amine (CID 116897877) is 2-[4-(2-fluorophenyl)pyrimidin-2-yl]propan-1-amine.
What is the SMILES notation for 2-[4-(2-fluorophenyl)pyrimidin-2-yl]propan-1-amine?
The canonical SMILES for 2-[4-(2-fluorophenyl)pyrimidin-2-yl]propan-1-amine is CC(CN)c1nccc(-c2ccccc2F)n1.
What is the InChIKey of 2-[4-(2-fluorophenyl)pyrimidin-2-yl]propan-1-amine?
The InChIKey is CYRQKXLHEYVILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-9(8-15)13-16-7-6-12(17-13)10-4-2-3-5-11(10)14/h2-7,9H,8,15H2,1H3.
What are the key properties of 2-[4-(2-fluorophenyl)pyrimidin-2-yl]propan-1-amine?
2-[4-(2-fluorophenyl)pyrimidin-2-yl]propan-1-amine has a molecular weight of 231.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)pyrimidin-2-yl]propan-1-amine is sourced from PubChem (CID 116897877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).