4-chloro-2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-5-methylpyrimidine

C13H15ClN4 — CID 80978334

IUPAC4-chloro-2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-5-methylpyrimidine
SMILESCc1ncn(-c2nc(C3CC3)nc(Cl)c2C)c1C
InChIInChI=1S/C13H15ClN4/c1-7-11(14)16-12(10-4-5-10)17-13(7)18-6-15-8(2)9(18)3/h6,10H,4-5H2,1-3H3
InChIKeyMFQFLPYSEJJIEA-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.12
Rot. Bonds2

About 4-chloro-2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-5-methylpyrimidine

4-chloro-2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-5-methylpyrimidine (PubChem CID 80978334) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-5-methylpyrimidine
PubChem CID80978334
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name4-chloro-2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-5-methylpyrimidine
SMILESCc1ncn(-c2nc(C3CC3)nc(Cl)c2C)c1C
InChIInChI=1S/C13H15ClN4/c1-7-11(14)16-12(10-4-5-10)17-13(7)18-6-15-8(2)9(18)3/h6,10H,4-5H2,1-3H3
InChIKeyMFQFLPYSEJJIEA-UHFFFAOYSA-N
XLogP3.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-5-methylpyrimidine 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

2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80988896
4-chloro-2-cyclopropyl-5-methyl-6-(4-methylpyrazol-1-yl)pyrimidine
CID 80978776
4-chloro-2-cyclopropyl-5-methyl-6-(3-methylpyrrolidin-1-yl)pyrimidine
CID 80971295
4-chloro-2-cyclopropyl-5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine
CID 80971748
8-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 80972608
2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-N-ethylpyrimidin-4-amine
CID 80966773
1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 80974333
4-chloro-2-cyclopropyl-5-methyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 80972003
4-chloro-2-cyclopropyl-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine
CID 135154119
1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide
CID 80978004
6-(benzimidazol-1-yl)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80992517
4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine
CID 65393714

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-5-methylpyrimidine (CID 80978334) is 4-chloro-2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-5-methylpyrimidine is Cc1ncn(-c2nc(C3CC3)nc(Cl)c2C)c1C.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-5-methylpyrimidine?
The InChIKey is MFQFLPYSEJJIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-7-11(14)16-12(10-4-5-10)17-13(7)18-6-15-8(2)9(18)3/h6,10H,4-5H2,1-3H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-5-methylpyrimidine?
4-chloro-2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-5-methylpyrimidine has a molecular weight of 262.74 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(4,5-dimethylimidazol-1-yl)-5-methylpyrimidine is sourced from PubChem (CID 80978334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).