(2Z)-2-(hydroxymethylidene)-1H-pyrimidin-4-one

C5H6N2O2 — CID 156851347

IUPAC(2Z)-2-(hydroxymethylidene)-1H-pyrimidin-4-one
SMILESO=C1C=CN/C(=C/O)N1
InChIInChI=1S/C5H6N2O2/c8-3-4-6-2-1-5(9)7-4/h1-3,6,8H,(H,7,9)/b4-3-
InChIKeyKUJXGYFRYQFPFS-ARJAWSKDSA-N
MW126.11 g/mol
LogP-0.42
Rot. Bonds

About (2Z)-2-(hydroxymethylidene)-1H-pyrimidin-4-one

(2Z)-2-(hydroxymethylidene)-1H-pyrimidin-4-one (PubChem CID 156851347) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is (2Z)-2-(hydroxymethylidene)-1H-pyrimidin-4-one.

Molecular Properties

Compound Name(2Z)-2-(hydroxymethylidene)-1H-pyrimidin-4-one
PubChem CID156851347
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name(2Z)-2-(hydroxymethylidene)-1H-pyrimidin-4-one
SMILESO=C1C=CN/C(=C/O)N1
InChIInChI=1S/C5H6N2O2/c8-3-4-6-2-1-5(9)7-4/h1-3,6,8H,(H,7,9)/b4-3-
InChIKeyKUJXGYFRYQFPFS-ARJAWSKDSA-N
XLogP-0.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (2Z)-2-(hydroxymethylidene)-1H-pyrimidin-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 (2Z)-2-(hydroxymethylidene)-1H-pyrimidin-4-one?
The IUPAC name of (2Z)-2-(hydroxymethylidene)-1H-pyrimidin-4-one (CID 156851347) is (2Z)-2-(hydroxymethylidene)-1H-pyrimidin-4-one.
What is the SMILES notation for (2Z)-2-(hydroxymethylidene)-1H-pyrimidin-4-one?
The canonical SMILES for (2Z)-2-(hydroxymethylidene)-1H-pyrimidin-4-one is O=C1C=CN/C(=C/O)N1.
What is the InChIKey of (2Z)-2-(hydroxymethylidene)-1H-pyrimidin-4-one?
The InChIKey is KUJXGYFRYQFPFS-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H6N2O2/c8-3-4-6-2-1-5(9)7-4/h1-3,6,8H,(H,7,9)/b4-3-.
What are the key properties of (2Z)-2-(hydroxymethylidene)-1H-pyrimidin-4-one?
(2Z)-2-(hydroxymethylidene)-1H-pyrimidin-4-one has a molecular weight of 126.11 g/mol, XLogP of -0.42, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(hydroxymethylidene)-1H-pyrimidin-4-one is sourced from PubChem (CID 156851347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).