2-hydroxy-3-methyl-1,2-dihydropyrimidin-4-one

C5H8N2O2 — CID 21115610

IUPAC2-hydroxy-3-methyl-1,2-dihydropyrimidin-4-one
SMILESCN1C(=O)C=CNC1O
InChIInChI=1S/C5H8N2O2/c1-7-4(8)2-3-6-5(7)9/h2-3,5-6,9H,1H3
InChIKeyHQPZNBKHYXLRNK-UHFFFAOYSA-N
MW128.13 g/mol
LogP-1.16
Rot. Bonds

About 2-hydroxy-3-methyl-1,2-dihydropyrimidin-4-one

2-hydroxy-3-methyl-1,2-dihydropyrimidin-4-one (PubChem CID 21115610) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-1,2-dihydropyrimidin-4-one.

Molecular Properties

Compound Name2-hydroxy-3-methyl-1,2-dihydropyrimidin-4-one
PubChem CID21115610
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name2-hydroxy-3-methyl-1,2-dihydropyrimidin-4-one
SMILESCN1C(=O)C=CNC1O
InChIInChI=1S/C5H8N2O2/c1-7-4(8)2-3-6-5(7)9/h2-3,5-6,9H,1H3
InChIKeyHQPZNBKHYXLRNK-UHFFFAOYSA-N
XLogP-1.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-1,2-dihydropyrimidin-4-one?
The IUPAC name of 2-hydroxy-3-methyl-1,2-dihydropyrimidin-4-one (CID 21115610) is 2-hydroxy-3-methyl-1,2-dihydropyrimidin-4-one.
What is the SMILES notation for 2-hydroxy-3-methyl-1,2-dihydropyrimidin-4-one?
The canonical SMILES for 2-hydroxy-3-methyl-1,2-dihydropyrimidin-4-one is CN1C(=O)C=CNC1O.
What is the InChIKey of 2-hydroxy-3-methyl-1,2-dihydropyrimidin-4-one?
The InChIKey is HQPZNBKHYXLRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-7-4(8)2-3-6-5(7)9/h2-3,5-6,9H,1H3.
What are the key properties of 2-hydroxy-3-methyl-1,2-dihydropyrimidin-4-one?
2-hydroxy-3-methyl-1,2-dihydropyrimidin-4-one has a molecular weight of 128.13 g/mol, XLogP of -1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-1,2-dihydropyrimidin-4-one is sourced from PubChem (CID 21115610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).