6-(2,3-dimethylimidazol-4-yl)-N-propylpyrimidin-4-amine

C12H17N5 — CID 114283482

IUPAC6-(2,3-dimethylimidazol-4-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cnc(C)n2C)ncn1
InChIInChI=1S/C12H17N5/c1-4-5-13-12-6-10(15-8-16-12)11-7-14-9(2)17(11)3/h6-8H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyVHKWJDJCUBQQJA-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.01
Rot. Bonds4

About 6-(2,3-dimethylimidazol-4-yl)-N-propylpyrimidin-4-amine

6-(2,3-dimethylimidazol-4-yl)-N-propylpyrimidin-4-amine (PubChem CID 114283482) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-(2,3-dimethylimidazol-4-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dimethylimidazol-4-yl)-N-propylpyrimidin-4-amine
PubChem CID114283482
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name6-(2,3-dimethylimidazol-4-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cnc(C)n2C)ncn1
InChIInChI=1S/C12H17N5/c1-4-5-13-12-6-10(15-8-16-12)11-7-14-9(2)17(11)3/h6-8H,4-5H2,1-3H3,(H,13,15,16)
InChIKeyVHKWJDJCUBQQJA-UHFFFAOYSA-N
XLogP2.01
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(2,3-dimethylimidazol-4-yl)-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

4-(2,3-dimethylimidazol-4-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 114283486
6-(2-methyl-1H-imidazol-5-yl)-N-propylpyrimidin-4-amine
CID 134214075
6-(3-fluoro-5-methylphenyl)-N-propylpyrimidin-4-amine
CID 79689981
1-methyl-4-[6-(propylamino)pyrimidin-4-yl]pyridin-2-one
CID 118033881
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784387
4-N-prop-2-enyl-6-N-propylpyrimidine-4,6-diamine
CID 112854486
6-cyclobutyl-N-propylpyrimidin-4-amine
CID 126848136
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 106378764
4-N-[(1-methylpiperidin-4-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80812575
2,2-difluoro-3-[[6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 106179368
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-propylpyrimidine-4,6-diamine
CID 80786245

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylimidazol-4-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dimethylimidazol-4-yl)-N-propylpyrimidin-4-amine (CID 114283482) is 6-(2,3-dimethylimidazol-4-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dimethylimidazol-4-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dimethylimidazol-4-yl)-N-propylpyrimidin-4-amine is CCCNc1cc(-c2cnc(C)n2C)ncn1.
What is the InChIKey of 6-(2,3-dimethylimidazol-4-yl)-N-propylpyrimidin-4-amine?
The InChIKey is VHKWJDJCUBQQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-4-5-13-12-6-10(15-8-16-12)11-7-14-9(2)17(11)3/h6-8H,4-5H2,1-3H3,(H,13,15,16).
What are the key properties of 6-(2,3-dimethylimidazol-4-yl)-N-propylpyrimidin-4-amine?
6-(2,3-dimethylimidazol-4-yl)-N-propylpyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylimidazol-4-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 114283482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).