4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine

C12H15ClN4 — CID 80978084

IUPAC4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(-n2ccnc2C)n1
InChIInChI=1S/C12H15ClN4/c1-4-5-10-15-11(13)8(2)12(16-10)17-7-6-14-9(17)3/h6-7H,4-5H2,1-3H3
InChIKeyPUTFLZWFXLHERZ-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.89
Rot. Bonds3

About 4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine

4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine (PubChem CID 80978084) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine
PubChem CID80978084
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(-n2ccnc2C)n1
InChIInChI=1S/C12H15ClN4/c1-4-5-10-15-11(13)8(2)12(16-10)17-7-6-14-9(17)3/h6-7H,4-5H2,1-3H3
InChIKeyPUTFLZWFXLHERZ-UHFFFAOYSA-N
XLogP2.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine 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

N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidin-4-amine
CID 80992338
6-(2-ethylimidazol-1-yl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80991668
4-chloro-6-(3-cyclopropylpyrazol-1-yl)-5-methyl-2-propylpyrimidine
CID 80978781
1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 80971021
4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine
CID 80972005
2-tert-butyl-N-ethyl-5-methyl-6-(2-methylimidazol-1-yl)pyrimidin-4-amine
CID 80991880
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 80979070
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-5-methyl-2-propylpyrimidine
CID 80971909
4,6-dichloro-2-(imidazol-1-ylmethyl)-5-methylpyrimidine
CID 131091988
7-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 80977508
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane
CID 80978841
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline
CID 80980277

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine (CID 80978084) is 4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine is CCCc1nc(Cl)c(C)c(-n2ccnc2C)n1.
What is the InChIKey of 4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine?
The InChIKey is PUTFLZWFXLHERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-4-5-10-15-11(13)8(2)12(16-10)17-7-6-14-9(17)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine?
4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine has a molecular weight of 250.73 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-(2-methylimidazol-1-yl)-2-propylpyrimidine is sourced from PubChem (CID 80978084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).