3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one

C11H13ClN4O2 — CID 79376213

IUPAC3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1Cc1ncc(Cl)n1C
InChIInChI=1S/C11H13ClN4O2/c1-7-4-10(17)16(11(14-7)18-3)6-9-13-5-8(12)15(9)2/h4-5H,6H2,1-3H3
InChIKeyYGZLZGUNSCQQGF-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.00
Rot. Bonds3

About 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one

3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one (PubChem CID 79376213) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one
PubChem CID79376213
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1Cc1ncc(Cl)n1C
InChIInChI=1S/C11H13ClN4O2/c1-7-4-10(17)16(11(14-7)18-3)6-9-13-5-8(12)15(9)2/h4-5H,6H2,1-3H3
InChIKeyYGZLZGUNSCQQGF-UHFFFAOYSA-N
XLogP1.00
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
The IUPAC name of 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one (CID 79376213) is 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one is COc1nc(C)cc(=O)n1Cc1ncc(Cl)n1C.
What is the InChIKey of 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
The InChIKey is YGZLZGUNSCQQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-7-4-10(17)16(11(14-7)18-3)6-9-13-5-8(12)15(9)2/h4-5H,6H2,1-3H3.
What are the key properties of 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one has a molecular weight of 268.70 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one is sourced from PubChem (CID 79376213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).