2-methoxy-6-methyl-3-[(3-methylimidazol-4-yl)methyl]pyrimidin-4-one

C11H14N4O2 — CID 79376210

IUPAC2-methoxy-6-methyl-3-[(3-methylimidazol-4-yl)methyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1Cc1cncn1C
InChIInChI=1S/C11H14N4O2/c1-8-4-10(16)15(11(13-8)17-3)6-9-5-12-7-14(9)2/h4-5,7H,6H2,1-3H3
InChIKeyKGRHVAUGYWAHPU-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.34
Rot. Bonds3

About 2-methoxy-6-methyl-3-[(3-methylimidazol-4-yl)methyl]pyrimidin-4-one

2-methoxy-6-methyl-3-[(3-methylimidazol-4-yl)methyl]pyrimidin-4-one (PubChem CID 79376210) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-[(3-methylimidazol-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-[(3-methylimidazol-4-yl)methyl]pyrimidin-4-one
PubChem CID79376210
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-methoxy-6-methyl-3-[(3-methylimidazol-4-yl)methyl]pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1Cc1cncn1C
InChIInChI=1S/C11H14N4O2/c1-8-4-10(16)15(11(13-8)17-3)6-9-5-12-7-14(9)2/h4-5,7H,6H2,1-3H3
InChIKeyKGRHVAUGYWAHPU-UHFFFAOYSA-N
XLogP0.34
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-[(3-methylimidazol-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-[(3-methylimidazol-4-yl)methyl]pyrimidin-4-one (CID 79376210) is 2-methoxy-6-methyl-3-[(3-methylimidazol-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-[(3-methylimidazol-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-[(3-methylimidazol-4-yl)methyl]pyrimidin-4-one is COc1nc(C)cc(=O)n1Cc1cncn1C.
What is the InChIKey of 2-methoxy-6-methyl-3-[(3-methylimidazol-4-yl)methyl]pyrimidin-4-one?
The InChIKey is KGRHVAUGYWAHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-8-4-10(16)15(11(13-8)17-3)6-9-5-12-7-14(9)2/h4-5,7H,6H2,1-3H3.
What are the key properties of 2-methoxy-6-methyl-3-[(3-methylimidazol-4-yl)methyl]pyrimidin-4-one?
2-methoxy-6-methyl-3-[(3-methylimidazol-4-yl)methyl]pyrimidin-4-one has a molecular weight of 234.26 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-[(3-methylimidazol-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 79376210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).