4-chloro-6-imidazol-1-yl-2-methylpyrimidine

C8H7ClN4 — CID 59122280

IUPAC4-chloro-6-imidazol-1-yl-2-methylpyrimidine
SMILESCc1nc(Cl)cc(-n2ccnc2)n1
InChIInChI=1S/C8H7ClN4/c1-6-11-7(9)4-8(12-6)13-3-2-10-5-13/h2-5H,1H3
InChIKeyFGEXTPIVWVLXMW-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.62
Rot. Bonds1

About 4-chloro-6-imidazol-1-yl-2-methylpyrimidine

4-chloro-6-imidazol-1-yl-2-methylpyrimidine (PubChem CID 59122280) has the molecular formula C8H7ClN4 and a molecular weight of 194.62 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-2-methylpyrimidine
PubChem CID59122280
Molecular FormulaC8H7ClN4
Molecular Weight194.62 g/mol
Exact Mass194.04
IUPAC Name4-chloro-6-imidazol-1-yl-2-methylpyrimidine
SMILESCc1nc(Cl)cc(-n2ccnc2)n1
InChIInChI=1S/C8H7ClN4/c1-6-11-7(9)4-8(12-6)13-3-2-10-5-13/h2-5H,1H3
InChIKeyFGEXTPIVWVLXMW-UHFFFAOYSA-N
XLogP1.62
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-imidazol-1-yl-2-methylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-yl-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-2-methylpyrimidine (CID 59122280) is 4-chloro-6-imidazol-1-yl-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-2-methylpyrimidine is Cc1nc(Cl)cc(-n2ccnc2)n1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-2-methylpyrimidine?
The InChIKey is FGEXTPIVWVLXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c1-6-11-7(9)4-8(12-6)13-3-2-10-5-13/h2-5H,1H3.
What are the key properties of 4-chloro-6-imidazol-1-yl-2-methylpyrimidine?
4-chloro-6-imidazol-1-yl-2-methylpyrimidine has a molecular weight of 194.62 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-yl-2-methylpyrimidine is sourced from PubChem (CID 59122280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).