5-(hydroxymethyl)-1-methyl-2-methylidenepyrimidin-4-one

C7H10N2O2 — CID 58352425

IUPAC5-(hydroxymethyl)-1-methyl-2-methylidenepyrimidin-4-one
SMILESC=C1NC(=O)C(CO)=CN1C
InChIInChI=1S/C7H10N2O2/c1-5-8-7(11)6(4-10)3-9(5)2/h3,10H,1,4H2,2H3,(H,8,11)
InChIKeyRSCYBXOPAKVSST-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.60
Rot. Bonds1

About 5-(hydroxymethyl)-1-methyl-2-methylidenepyrimidin-4-one

5-(hydroxymethyl)-1-methyl-2-methylidenepyrimidin-4-one (PubChem CID 58352425) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-methyl-2-methylidenepyrimidin-4-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-methyl-2-methylidenepyrimidin-4-one
PubChem CID58352425
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name5-(hydroxymethyl)-1-methyl-2-methylidenepyrimidin-4-one
SMILESC=C1NC(=O)C(CO)=CN1C
InChIInChI=1S/C7H10N2O2/c1-5-8-7(11)6(4-10)3-9(5)2/h3,10H,1,4H2,2H3,(H,8,11)
InChIKeyRSCYBXOPAKVSST-UHFFFAOYSA-N
XLogP-0.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(hydroxymethyl)-1-methyl-2-methylidenepyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-methyl-2-methylidenepyrimidin-4-one?
The IUPAC name of 5-(hydroxymethyl)-1-methyl-2-methylidenepyrimidin-4-one (CID 58352425) is 5-(hydroxymethyl)-1-methyl-2-methylidenepyrimidin-4-one.
What is the SMILES notation for 5-(hydroxymethyl)-1-methyl-2-methylidenepyrimidin-4-one?
The canonical SMILES for 5-(hydroxymethyl)-1-methyl-2-methylidenepyrimidin-4-one is C=C1NC(=O)C(CO)=CN1C.
What is the InChIKey of 5-(hydroxymethyl)-1-methyl-2-methylidenepyrimidin-4-one?
The InChIKey is RSCYBXOPAKVSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5-8-7(11)6(4-10)3-9(5)2/h3,10H,1,4H2,2H3,(H,8,11).
What are the key properties of 5-(hydroxymethyl)-1-methyl-2-methylidenepyrimidin-4-one?
5-(hydroxymethyl)-1-methyl-2-methylidenepyrimidin-4-one has a molecular weight of 154.17 g/mol, XLogP of -0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-methyl-2-methylidenepyrimidin-4-one is sourced from PubChem (CID 58352425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).