2-(3-bromophenyl)-N-propylpyrimidin-4-amine

C13H14BrN3 — CID 55135437

IUPAC2-(3-bromophenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(-c2cccc(Br)c2)n1
InChIInChI=1S/C13H14BrN3/c1-2-7-15-12-6-8-16-13(17-12)10-4-3-5-11(14)9-10/h3-6,8-9H,2,7H2,1H3,(H,15,16,17)
InChIKeyJYCNEZCAKODWKM-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.73
Rot. Bonds4

About 2-(3-bromophenyl)-N-propylpyrimidin-4-amine

2-(3-bromophenyl)-N-propylpyrimidin-4-amine (PubChem CID 55135437) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-propylpyrimidin-4-amine
PubChem CID55135437
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name2-(3-bromophenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(-c2cccc(Br)c2)n1
InChIInChI=1S/C13H14BrN3/c1-2-7-15-12-6-8-16-13(17-12)10-4-3-5-11(14)9-10/h3-6,8-9H,2,7H2,1H3,(H,15,16,17)
InChIKeyJYCNEZCAKODWKM-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromophenyl)-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

Related Compounds

2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 114330961
2-naphthalen-2-yl-N-propylpyrimidin-4-amine
CID 62202615
2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 62191848
3-(3-bromophenyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268642
2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine
CID 62202434
2-(3-bromofuran-2-yl)-N-propylpyrimidin-4-amine
CID 106889197
6-(3-bromophenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 115503957
N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 62201721
2-(3-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 63486280
2-(3-bromophenyl)pyrimidine
CID 26967381
2-(1-ethylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 103570486
2-(5-fluoro-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 79717957

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromophenyl)-N-propylpyrimidin-4-amine (CID 55135437) is 2-(3-bromophenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromophenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromophenyl)-N-propylpyrimidin-4-amine is CCCNc1ccnc(-c2cccc(Br)c2)n1.
What is the InChIKey of 2-(3-bromophenyl)-N-propylpyrimidin-4-amine?
The InChIKey is JYCNEZCAKODWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-2-7-15-12-6-8-16-13(17-12)10-4-3-5-11(14)9-10/h3-6,8-9H,2,7H2,1H3,(H,15,16,17).
What are the key properties of 2-(3-bromophenyl)-N-propylpyrimidin-4-amine?
2-(3-bromophenyl)-N-propylpyrimidin-4-amine has a molecular weight of 292.18 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 55135437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).