4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine

C11H13ClN4 — CID 80935856

IUPAC4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine
SMILESCCc1nc(Cl)cc(Cc2nccn2C)n1
InChIInChI=1S/C11H13ClN4/c1-3-10-14-8(6-9(12)15-10)7-11-13-4-5-16(11)2/h4-6H,3,7H2,1-2H3
InChIKeyDOKICQKWFOAWIO-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.02
Rot. Bonds3

About 4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine

4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine (PubChem CID 80935856) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine
PubChem CID80935856
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine
SMILESCCc1nc(Cl)cc(Cc2nccn2C)n1
InChIInChI=1S/C11H13ClN4/c1-3-10-14-8(6-9(12)15-10)7-11-13-4-5-16(11)2/h4-6H,3,7H2,1-2H3
InChIKeyDOKICQKWFOAWIO-UHFFFAOYSA-N
XLogP2.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80936276
6-chloro-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80936719
4-chloro-2-propyl-6-[(1-propylimidazol-2-yl)methyl]pyrimidine
CID 80945789
4-chloro-2,6-diethylpyrimidine
CID 43557605
4-chloro-6-[(1-ethylimidazol-2-yl)methyl]-2-methylpyrimidine
CID 79738348
4-chloro-2-ethyl-6-(1-propylimidazol-2-yl)pyrimidine
CID 80936041
2-[(4-chlorophenyl)methyl]-1-methylimidazole
CID 143713939
6-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80952506
(4-chloro-6-ethylpyrimidin-2-yl)methanamine
CID 55262955
2-cyclopropyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80952718
2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole
CID 82561964
2-bromo-6-[(1-methylimidazol-2-yl)methyl]pyridine
CID 79738834

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine (CID 80935856) is 4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine is CCc1nc(Cl)cc(Cc2nccn2C)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine?
The InChIKey is DOKICQKWFOAWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-3-10-14-8(6-9(12)15-10)7-11-13-4-5-16(11)2/h4-6H,3,7H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine?
4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine has a molecular weight of 236.71 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-[(1-methylimidazol-2-yl)methyl]pyrimidine is sourced from PubChem (CID 80935856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).