5-methyl-4-methylidene-1H-pyrimidin-1-ium-2-one

C6H9N2O+ — CID 155698614

IUPAC5-methyl-4-methylidene-1H-pyrimidin-1-ium-2-one
SMILESC=C1NC(=O)[NH2+]C=C1C
InChIInChI=1S/C6H8N2O/c1-4-3-7-6(9)8-5(4)2/h3H,2H2,1H3,(H2,7,8,9)/p+1
InChIKeyHOZPLJRLMFSVIG-UHFFFAOYSA-O
MW125.15 g/mol
LogP-0.31
Rot. Bonds

About 5-methyl-4-methylidene-1H-pyrimidin-1-ium-2-one

5-methyl-4-methylidene-1H-pyrimidin-1-ium-2-one (PubChem CID 155698614) has the molecular formula C6H9N2O+ and a molecular weight of 125.15 g/mol. Its IUPAC name is 5-methyl-4-methylidene-1H-pyrimidin-1-ium-2-one.

Molecular Properties

Compound Name5-methyl-4-methylidene-1H-pyrimidin-1-ium-2-one
PubChem CID155698614
Molecular FormulaC6H9N2O+
Molecular Weight125.15 g/mol
Exact Mass125.07
IUPAC Name5-methyl-4-methylidene-1H-pyrimidin-1-ium-2-one
SMILESC=C1NC(=O)[NH2+]C=C1C
InChIInChI=1S/C6H8N2O/c1-4-3-7-6(9)8-5(4)2/h3H,2H2,1H3,(H2,7,8,9)/p+1
InChIKeyHOZPLJRLMFSVIG-UHFFFAOYSA-O
XLogP-0.31
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylidene-1H-pyrimidin-1-ium-2-one?
The IUPAC name of 5-methyl-4-methylidene-1H-pyrimidin-1-ium-2-one (CID 155698614) is 5-methyl-4-methylidene-1H-pyrimidin-1-ium-2-one.
What is the SMILES notation for 5-methyl-4-methylidene-1H-pyrimidin-1-ium-2-one?
The canonical SMILES for 5-methyl-4-methylidene-1H-pyrimidin-1-ium-2-one is C=C1NC(=O)[NH2+]C=C1C.
What is the InChIKey of 5-methyl-4-methylidene-1H-pyrimidin-1-ium-2-one?
The InChIKey is HOZPLJRLMFSVIG-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8N2O/c1-4-3-7-6(9)8-5(4)2/h3H,2H2,1H3,(H2,7,8,9)/p+1.
What are the key properties of 5-methyl-4-methylidene-1H-pyrimidin-1-ium-2-one?
5-methyl-4-methylidene-1H-pyrimidin-1-ium-2-one has a molecular weight of 125.15 g/mol, XLogP of -0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-methylidene-1H-pyrimidin-1-ium-2-one is sourced from PubChem (CID 155698614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).