5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine

C15H19BrN4 — CID 66301103

IUPAC5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cccnc2)nc(C(C)C)c1Br
InChIInChI=1S/C15H19BrN4/c1-4-7-18-15-12(16)13(10(2)3)19-14(20-15)11-6-5-8-17-9-11/h5-6,8-10H,4,7H2,1-3H3,(H,18,19,20)
InChIKeyBLKHLPGLKBYDBP-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.25
Rot. Bonds5

About 5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine

5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 66301103) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID66301103
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cccnc2)nc(C(C)C)c1Br
InChIInChI=1S/C15H19BrN4/c1-4-7-18-15-12(16)13(10(2)3)19-14(20-15)11-6-5-8-17-9-11/h5-6,8-10H,4,7H2,1-3H3,(H,18,19,20)
InChIKeyBLKHLPGLKBYDBP-UHFFFAOYSA-N
XLogP4.25
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-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

5-bromo-6-cyclopropyl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66303575
5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66298546
5-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 79713731
5-bromo-2-(5-ethylfuran-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66297944
5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66297560
6-ethyl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 62190215
6-cyclopropyl-5-iodo-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66304220
5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66297751
5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299335
5-bromo-2-(methylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299727
5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299922
5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300318

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine (CID 66301103) is 5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine is CCCNc1nc(-c2cccnc2)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is BLKHLPGLKBYDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-4-7-18-15-12(16)13(10(2)3)19-14(20-15)11-6-5-8-17-9-11/h5-6,8-10H,4,7H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine?
5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 335.25 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 66301103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).