2-(5-chloro-1-methylimidazol-2-yl)-4-ethyl-5-methyl-1H-pyrimidin-6-one

C11H13ClN4O — CID 136932082

IUPAC2-(5-chloro-1-methylimidazol-2-yl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ncc(Cl)n2C)[nH]c(=O)c1C
InChIInChI=1S/C11H13ClN4O/c1-4-7-6(2)11(17)15-9(14-7)10-13-5-8(12)16(10)3/h5H,4H2,1-3H3,(H,14,15,17)
InChIKeyIEEHOAZKIZYEJV-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.69
Rot. Bonds2

About 2-(5-chloro-1-methylimidazol-2-yl)-4-ethyl-5-methyl-1H-pyrimidin-6-one

2-(5-chloro-1-methylimidazol-2-yl)-4-ethyl-5-methyl-1H-pyrimidin-6-one (PubChem CID 136932082) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-(5-chloro-1-methylimidazol-2-yl)-4-ethyl-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-chloro-1-methylimidazol-2-yl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
PubChem CID136932082
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name2-(5-chloro-1-methylimidazol-2-yl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ncc(Cl)n2C)[nH]c(=O)c1C
InChIInChI=1S/C11H13ClN4O/c1-4-7-6(2)11(17)15-9(14-7)10-13-5-8(12)16(10)3/h5H,4H2,1-3H3,(H,14,15,17)
InChIKeyIEEHOAZKIZYEJV-UHFFFAOYSA-N
XLogP1.69
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methylimidazol-2-yl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-chloro-1-methylimidazol-2-yl)-4-ethyl-5-methyl-1H-pyrimidin-6-one (CID 136932082) is 2-(5-chloro-1-methylimidazol-2-yl)-4-ethyl-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-chloro-1-methylimidazol-2-yl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-chloro-1-methylimidazol-2-yl)-4-ethyl-5-methyl-1H-pyrimidin-6-one is CCc1nc(-c2ncc(Cl)n2C)[nH]c(=O)c1C.
What is the InChIKey of 2-(5-chloro-1-methylimidazol-2-yl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
The InChIKey is IEEHOAZKIZYEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-4-7-6(2)11(17)15-9(14-7)10-13-5-8(12)16(10)3/h5H,4H2,1-3H3,(H,14,15,17).
What are the key properties of 2-(5-chloro-1-methylimidazol-2-yl)-4-ethyl-5-methyl-1H-pyrimidin-6-one?
2-(5-chloro-1-methylimidazol-2-yl)-4-ethyl-5-methyl-1H-pyrimidin-6-one has a molecular weight of 252.70 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methylimidazol-2-yl)-4-ethyl-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136932082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).