5-bromo-2-(2-cyclopropylphenyl)-6-methyl-N-propylpyrimidin-4-amine

C17H20BrN3 — CID 79971925

IUPAC5-bromo-2-(2-cyclopropylphenyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccc2C2CC2)nc(C)c1Br
InChIInChI=1S/C17H20BrN3/c1-3-10-19-17-15(18)11(2)20-16(21-17)14-7-5-4-6-13(14)12-8-9-12/h4-7,12H,3,8-10H2,1-2H3,(H,19,20,21)
InChIKeyOKGSXQKKVYLWEI-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.91
Rot. Bonds5

About 5-bromo-2-(2-cyclopropylphenyl)-6-methyl-N-propylpyrimidin-4-amine

5-bromo-2-(2-cyclopropylphenyl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 79971925) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 5-bromo-2-(2-cyclopropylphenyl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-cyclopropylphenyl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID79971925
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name5-bromo-2-(2-cyclopropylphenyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccccc2C2CC2)nc(C)c1Br
InChIInChI=1S/C17H20BrN3/c1-3-10-19-17-15(18)11(2)20-16(21-17)14-7-5-4-6-13(14)12-8-9-12/h4-7,12H,3,8-10H2,1-2H3,(H,19,20,21)
InChIKeyOKGSXQKKVYLWEI-UHFFFAOYSA-N
XLogP4.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-(2-cyclopropylphenyl)-6-methyl-N-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-bromo-2-(2-cyclopropylphenyl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-cyclopropylphenyl)-6-methyl-N-propylpyrimidin-4-amine (CID 79971925) is 5-bromo-2-(2-cyclopropylphenyl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-cyclopropylphenyl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-cyclopropylphenyl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccccc2C2CC2)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(2-cyclopropylphenyl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is OKGSXQKKVYLWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-3-10-19-17-15(18)11(2)20-16(21-17)14-7-5-4-6-13(14)12-8-9-12/h4-7,12H,3,8-10H2,1-2H3,(H,19,20,21).
What are the key properties of 5-bromo-2-(2-cyclopropylphenyl)-6-methyl-N-propylpyrimidin-4-amine?
5-bromo-2-(2-cyclopropylphenyl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 346.27 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-cyclopropylphenyl)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79971925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).