5-methyl-6-oxo-1H-pyrimidin-2-olate

C5H5N2O2- — CID 59444585

IUPAC5-methyl-6-oxo-1H-pyrimidin-2-olate
SMILESCc1cnc([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-M
MW125.11 g/mol
LogP-0.85
Rot. Bonds

About 5-methyl-6-oxo-1H-pyrimidin-2-olate

5-methyl-6-oxo-1H-pyrimidin-2-olate (PubChem CID 59444585) has the molecular formula C5H5N2O2- and a molecular weight of 125.11 g/mol. Its IUPAC name is 5-methyl-6-oxo-1H-pyrimidin-2-olate.

Molecular Properties

Compound Name5-methyl-6-oxo-1H-pyrimidin-2-olate
PubChem CID59444585
Molecular FormulaC5H5N2O2-
Molecular Weight125.11 g/mol
Exact Mass125.04
IUPAC Name5-methyl-6-oxo-1H-pyrimidin-2-olate
SMILESCc1cnc([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-M
XLogP-0.85
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.11
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-oxo-1H-pyrimidin-2-olate?
The IUPAC name of 5-methyl-6-oxo-1H-pyrimidin-2-olate (CID 59444585) is 5-methyl-6-oxo-1H-pyrimidin-2-olate.
What is the SMILES notation for 5-methyl-6-oxo-1H-pyrimidin-2-olate?
The canonical SMILES for 5-methyl-6-oxo-1H-pyrimidin-2-olate is Cc1cnc([O-])[nH]c1=O.
What is the InChIKey of 5-methyl-6-oxo-1H-pyrimidin-2-olate?
The InChIKey is RWQNBRDOKXIBIV-UHFFFAOYSA-M. 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 5-methyl-6-oxo-1H-pyrimidin-2-olate?
5-methyl-6-oxo-1H-pyrimidin-2-olate has a molecular weight of 125.11 g/mol, XLogP of -0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-oxo-1H-pyrimidin-2-olate is sourced from PubChem (CID 59444585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).