2-hydroxy-5-methyl-1H-pyrimidin-3-ium-6-one

C5H7N2O2+ — CID 15928655

IUPAC2-hydroxy-5-methyl-1H-pyrimidin-3-ium-6-one
SMILESCc1c[nH+]c(O)[nH]c1=O
InChIInChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)/p+1
InChIKeyRWQNBRDOKXIBIV-UHFFFAOYSA-O
MW127.12 g/mol
LogP-0.80
Rot. Bonds

About 2-hydroxy-5-methyl-1H-pyrimidin-3-ium-6-one

2-hydroxy-5-methyl-1H-pyrimidin-3-ium-6-one (PubChem CID 15928655) has the molecular formula C5H7N2O2+ and a molecular weight of 127.12 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-1H-pyrimidin-3-ium-6-one.

Molecular Properties

Compound Name2-hydroxy-5-methyl-1H-pyrimidin-3-ium-6-one
PubChem CID15928655
Molecular FormulaC5H7N2O2+
Molecular Weight127.12 g/mol
Exact Mass127.05
IUPAC Name2-hydroxy-5-methyl-1H-pyrimidin-3-ium-6-one
SMILESCc1c[nH+]c(O)[nH]c1=O
InChIInChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)/p+1
InChIKeyRWQNBRDOKXIBIV-UHFFFAOYSA-O
XLogP-0.80
TPSA67.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-1H-pyrimidin-3-ium-6-one?
The IUPAC name of 2-hydroxy-5-methyl-1H-pyrimidin-3-ium-6-one (CID 15928655) is 2-hydroxy-5-methyl-1H-pyrimidin-3-ium-6-one.
What is the SMILES notation for 2-hydroxy-5-methyl-1H-pyrimidin-3-ium-6-one?
The canonical SMILES for 2-hydroxy-5-methyl-1H-pyrimidin-3-ium-6-one is Cc1c[nH+]c(O)[nH]c1=O.
What is the InChIKey of 2-hydroxy-5-methyl-1H-pyrimidin-3-ium-6-one?
The InChIKey is RWQNBRDOKXIBIV-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)/p+1.
What are the key properties of 2-hydroxy-5-methyl-1H-pyrimidin-3-ium-6-one?
2-hydroxy-5-methyl-1H-pyrimidin-3-ium-6-one has a molecular weight of 127.12 g/mol, XLogP of -0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-1H-pyrimidin-3-ium-6-one is sourced from PubChem (CID 15928655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).