3-acetyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one

C7H10N2O3 — CID 22364295

IUPAC3-acetyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one
SMILESCC(=O)N1C=C(C)C(=O)NC1O
InChIInChI=1S/C7H10N2O3/c1-4-3-9(5(2)10)7(12)8-6(4)11/h3,7,12H,1-2H3,(H,8,11)
InChIKeyXXCCCRWKXQMOOQ-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.86
Rot. Bonds

About 3-acetyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one

3-acetyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one (PubChem CID 22364295) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-acetyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-acetyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one
PubChem CID22364295
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name3-acetyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one
SMILESCC(=O)N1C=C(C)C(=O)NC1O
InChIInChI=1S/C7H10N2O3/c1-4-3-9(5(2)10)7(12)8-6(4)11/h3,7,12H,1-2H3,(H,8,11)
InChIKeyXXCCCRWKXQMOOQ-UHFFFAOYSA-N
XLogP-0.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one?
The IUPAC name of 3-acetyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one (CID 22364295) is 3-acetyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one.
What is the SMILES notation for 3-acetyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one?
The canonical SMILES for 3-acetyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one is CC(=O)N1C=C(C)C(=O)NC1O.
What is the InChIKey of 3-acetyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one?
The InChIKey is XXCCCRWKXQMOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4-3-9(5(2)10)7(12)8-6(4)11/h3,7,12H,1-2H3,(H,8,11).
What are the key properties of 3-acetyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one?
3-acetyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one has a molecular weight of 170.17 g/mol, XLogP of -0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one is sourced from PubChem (CID 22364295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).