5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine

C12H14BrN5 — CID 115528480

IUPAC5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccnc(C)n2)nc(N)c1Br
InChIInChI=1S/C12H14BrN5/c1-3-4-8-10(13)11(14)18-12(17-8)9-5-6-15-7(2)16-9/h5-6H,3-4H2,1-2H3,(H2,14,17,18)
InChIKeyYNFMWWZKGRNVIG-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.54
Rot. Bonds3

About 5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine

5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine (PubChem CID 115528480) has the molecular formula C12H14BrN5 and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine
PubChem CID115528480
Molecular FormulaC12H14BrN5
Molecular Weight308.18 g/mol
Exact Mass307.04
IUPAC Name5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccnc(C)n2)nc(N)c1Br
InChIInChI=1S/C12H14BrN5/c1-3-4-8-10(13)11(14)18-12(17-8)9-5-6-15-7(2)16-9/h5-6H,3-4H2,1-2H3,(H2,14,17,18)
InChIKeyYNFMWWZKGRNVIG-UHFFFAOYSA-N
XLogP2.54
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-2-(2-methylpyrimidin-4-yl)-6-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

5-bromo-6-cyclopropyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
CID 115528547
5-bromo-6-propyl-2-quinolin-2-ylpyrimidin-4-amine
CID 66306932
5-bromo-4-chloro-6-ethyl-2-(2-methylpyrimidin-4-yl)pyrimidine
CID 115527526
5-bromo-2-(2-methylpyrimidin-4-yl)-6-phenylpyrimidin-4-amine
CID 115528465
5-bromo-2-methyl-6-propylpyrimidin-4-amine
CID 66307126
5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine
CID 103375014
5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine
CID 66307530
5-iodo-2-(2-methylpyrimidin-4-yl)-N,6-dipropylpyrimidin-4-amine
CID 115528491
5-bromo-2-(4-bromo-2-methylphenyl)-6-propylpyrimidin-4-amine
CID 103083787
5-bromo-2-imidazo[1,2-a]pyridin-2-yl-6-propylpyrimidin-4-amine
CID 66297292
5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine
CID 115527549
5-bromo-6-ethyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 66298641

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine (CID 115528480) is 5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine is CCCc1nc(-c2ccnc(C)n2)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine?
The InChIKey is YNFMWWZKGRNVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5/c1-3-4-8-10(13)11(14)18-12(17-8)9-5-6-15-7(2)16-9/h5-6H,3-4H2,1-2H3,(H2,14,17,18).
What are the key properties of 5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine?
5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine has a molecular weight of 308.18 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylpyrimidin-4-yl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 115528480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).