4-chloro-6-ethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidine

C11H13ClN4 — CID 66118502

IUPAC4-chloro-6-ethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidine
SMILESCCc1nc(-c2cncn2C)nc(Cl)c1C
InChIInChI=1S/C11H13ClN4/c1-4-8-7(2)10(12)15-11(14-8)9-5-13-6-16(9)3/h5-6H,4H2,1-3H3
InChIKeyHNEBHQNYNZCNBM-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.40
Rot. Bonds2

About 4-chloro-6-ethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidine

4-chloro-6-ethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidine (PubChem CID 66118502) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 4-chloro-6-ethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidine
PubChem CID66118502
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name4-chloro-6-ethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidine
SMILESCCc1nc(-c2cncn2C)nc(Cl)c1C
InChIInChI=1S/C11H13ClN4/c1-4-8-7(2)10(12)15-11(14-8)9-5-13-6-16(9)3/h5-6H,4H2,1-3H3
InChIKeyHNEBHQNYNZCNBM-UHFFFAOYSA-N
XLogP2.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidine (CID 66118502) is 4-chloro-6-ethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidine is CCc1nc(-c2cncn2C)nc(Cl)c1C.
What is the InChIKey of 4-chloro-6-ethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidine?
The InChIKey is HNEBHQNYNZCNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-4-8-7(2)10(12)15-11(14-8)9-5-13-6-16(9)3/h5-6H,4H2,1-3H3.
What are the key properties of 4-chloro-6-ethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidine?
4-chloro-6-ethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidine has a molecular weight of 236.71 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-5-methyl-2-(3-methylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 66118502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).