5-methyl-2,4-dioxo-1H-pyrimidin-6-olate

C5H5N2O3- — CID 25203833

IUPAC5-methyl-2,4-dioxo-1H-pyrimidin-6-olate
SMILESCc1c([O-])[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H6N2O3/c1-2-3(8)6-5(10)7-4(2)9/h1H3,(H3,6,7,8,9,10)/p-1
InChIKeyINCRRYKLCCVPJD-UHFFFAOYSA-M
MW141.11 g/mol
LogP-1.55
Rot. Bonds

About 5-methyl-2,4-dioxo-1H-pyrimidin-6-olate

5-methyl-2,4-dioxo-1H-pyrimidin-6-olate (PubChem CID 25203833) has the molecular formula C5H5N2O3- and a molecular weight of 141.11 g/mol. Its IUPAC name is 5-methyl-2,4-dioxo-1H-pyrimidin-6-olate.

Molecular Properties

Compound Name5-methyl-2,4-dioxo-1H-pyrimidin-6-olate
PubChem CID25203833
Molecular FormulaC5H5N2O3-
Molecular Weight141.11 g/mol
Exact Mass141.03
IUPAC Name5-methyl-2,4-dioxo-1H-pyrimidin-6-olate
SMILESCc1c([O-])[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H6N2O3/c1-2-3(8)6-5(10)7-4(2)9/h1H3,(H3,6,7,8,9,10)/p-1
InChIKeyINCRRYKLCCVPJD-UHFFFAOYSA-M
XLogP-1.55
TPSA88.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.11
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-dioxo-1H-pyrimidin-6-olate?
The IUPAC name of 5-methyl-2,4-dioxo-1H-pyrimidin-6-olate (CID 25203833) is 5-methyl-2,4-dioxo-1H-pyrimidin-6-olate.
What is the SMILES notation for 5-methyl-2,4-dioxo-1H-pyrimidin-6-olate?
The canonical SMILES for 5-methyl-2,4-dioxo-1H-pyrimidin-6-olate is Cc1c([O-])[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-2,4-dioxo-1H-pyrimidin-6-olate?
The InChIKey is INCRRYKLCCVPJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6N2O3/c1-2-3(8)6-5(10)7-4(2)9/h1H3,(H3,6,7,8,9,10)/p-1.
What are the key properties of 5-methyl-2,4-dioxo-1H-pyrimidin-6-olate?
5-methyl-2,4-dioxo-1H-pyrimidin-6-olate has a molecular weight of 141.11 g/mol, XLogP of -1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-dioxo-1H-pyrimidin-6-olate is sourced from PubChem (CID 25203833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).