5-hydroxy-6-methyl-1H-pyrimidin-2-one

C5H6N2O2 — CID 158606777

IUPAC5-hydroxy-6-methyl-1H-pyrimidin-2-one
SMILESCc1[nH]c(=O)ncc1O
InChIInChI=1S/C5H6N2O2/c1-3-4(8)2-6-5(9)7-3/h2,8H,1H3,(H,6,7,9)
InChIKeyHWIAZNIOKZXTRB-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.22
Rot. Bonds

About 5-hydroxy-6-methyl-1H-pyrimidin-2-one

5-hydroxy-6-methyl-1H-pyrimidin-2-one (PubChem CID 158606777) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 5-hydroxy-6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-hydroxy-6-methyl-1H-pyrimidin-2-one
PubChem CID158606777
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name5-hydroxy-6-methyl-1H-pyrimidin-2-one
SMILESCc1[nH]c(=O)ncc1O
InChIInChI=1S/C5H6N2O2/c1-3-4(8)2-6-5(9)7-3/h2,8H,1H3,(H,6,7,9)
InChIKeyHWIAZNIOKZXTRB-UHFFFAOYSA-N
XLogP-0.22
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methyl-1H-pyrimidin-2-one?
The IUPAC name of 5-hydroxy-6-methyl-1H-pyrimidin-2-one (CID 158606777) is 5-hydroxy-6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-hydroxy-6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-hydroxy-6-methyl-1H-pyrimidin-2-one is Cc1[nH]c(=O)ncc1O.
What is the InChIKey of 5-hydroxy-6-methyl-1H-pyrimidin-2-one?
The InChIKey is HWIAZNIOKZXTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-3-4(8)2-6-5(9)7-3/h2,8H,1H3,(H,6,7,9).
What are the key properties of 5-hydroxy-6-methyl-1H-pyrimidin-2-one?
5-hydroxy-6-methyl-1H-pyrimidin-2-one has a molecular weight of 126.11 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 158606777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).