5-(4-chlorophenyl)-2-propylpyrimidin-4-amine

C13H14ClN3 — CID 62899231

IUPAC5-(4-chlorophenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1ncc(-c2ccc(Cl)cc2)c(N)n1
InChIInChI=1S/C13H14ClN3/c1-2-3-12-16-8-11(13(15)17-12)9-4-6-10(14)7-5-9/h4-8H,2-3H2,1H3,(H2,15,16,17)
InChIKeyKXXYGEAXZIFYMU-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.33
Rot. Bonds3

About 5-(4-chlorophenyl)-2-propylpyrimidin-4-amine

5-(4-chlorophenyl)-2-propylpyrimidin-4-amine (PubChem CID 62899231) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-propylpyrimidin-4-amine
PubChem CID62899231
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name5-(4-chlorophenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1ncc(-c2ccc(Cl)cc2)c(N)n1
InChIInChI=1S/C13H14ClN3/c1-2-3-12-16-8-11(13(15)17-12)9-4-6-10(14)7-5-9/h4-8H,2-3H2,1H3,(H2,15,16,17)
InChIKeyKXXYGEAXZIFYMU-UHFFFAOYSA-N
XLogP3.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-2-propylpyrimidin-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 5-(4-chlorophenyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-2-propylpyrimidin-4-amine (CID 62899231) is 5-(4-chlorophenyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-2-propylpyrimidin-4-amine is CCCc1ncc(-c2ccc(Cl)cc2)c(N)n1.
What is the InChIKey of 5-(4-chlorophenyl)-2-propylpyrimidin-4-amine?
The InChIKey is KXXYGEAXZIFYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-2-3-12-16-8-11(13(15)17-12)9-4-6-10(14)7-5-9/h4-8H,2-3H2,1H3,(H2,15,16,17).
What are the key properties of 5-(4-chlorophenyl)-2-propylpyrimidin-4-amine?
5-(4-chlorophenyl)-2-propylpyrimidin-4-amine has a molecular weight of 247.73 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 62899231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).