5-bromo-N,6-dimethyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine

C12H16BrN5 — CID 114557366

IUPAC5-bromo-N,6-dimethyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
SMILESCCCn1nccc1-c1nc(C)c(Br)c(NC)n1
InChIInChI=1S/C12H16BrN5/c1-4-7-18-9(5-6-15-18)11-16-8(2)10(13)12(14-3)17-11/h5-6H,4,7H2,1-3H3,(H,14,16,17)
InChIKeyVGGVXUYBXYOWAQ-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.86
Rot. Bonds4

About 5-bromo-N,6-dimethyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine

5-bromo-N,6-dimethyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine (PubChem CID 114557366) has the molecular formula C12H16BrN5 and a molecular weight of 310.20 g/mol. Its IUPAC name is 5-bromo-N,6-dimethyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N,6-dimethyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
PubChem CID114557366
Molecular FormulaC12H16BrN5
Molecular Weight310.20 g/mol
Exact Mass309.06
IUPAC Name5-bromo-N,6-dimethyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
SMILESCCCn1nccc1-c1nc(C)c(Br)c(NC)n1
InChIInChI=1S/C12H16BrN5/c1-4-7-18-9(5-6-15-18)11-16-8(2)10(13)12(14-3)17-11/h5-6H,4,7H2,1-3H3,(H,14,16,17)
InChIKeyVGGVXUYBXYOWAQ-UHFFFAOYSA-N
XLogP2.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N,6-dimethyl-2-(2-propylpyrazol-3-yl)pyrimidin-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

5,6-dimethyl-N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
CID 114557302
5-bromo-N-ethyl-6-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
CID 114557383
5-bromo-2-(2-ethylpyrazol-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 114557431
N,5-dimethyl-2-propyl-6-(2-propylpyrazol-3-yl)pyrimidin-4-amine
CID 80976645
5-bromo-4-chloro-2-(2-propylpyrazol-3-yl)pyrimidine
CID 114556697
N-propyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine
CID 114557298
2-(2-ethylpyrazol-3-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 114557450
N-methyl-3-(2-propylpyrazol-3-yl)aniline
CID 106505768
1-(4-bromo-3,5-dimethylphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 114330568
5-bromo-2-(2,4-dimethylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 66302387
5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 105410427
5-bromo-N,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 66304226

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,6-dimethyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N,6-dimethyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine (CID 114557366) is 5-bromo-N,6-dimethyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N,6-dimethyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N,6-dimethyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine is CCCn1nccc1-c1nc(C)c(Br)c(NC)n1.
What is the InChIKey of 5-bromo-N,6-dimethyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is VGGVXUYBXYOWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5/c1-4-7-18-9(5-6-15-18)11-16-8(2)10(13)12(14-3)17-11/h5-6H,4,7H2,1-3H3,(H,14,16,17).
What are the key properties of 5-bromo-N,6-dimethyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine?
5-bromo-N,6-dimethyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 310.20 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,6-dimethyl-2-(2-propylpyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 114557366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).