4-hydroxy-2-methyl-5-prop-2-ynyl-1H-pyrimidin-6-one

C8H8N2O2 — CID 57428966

IUPAC4-hydroxy-2-methyl-5-prop-2-ynyl-1H-pyrimidin-6-one
SMILESC#CCc1c(O)nc(C)[nH]c1=O
InChIInChI=1S/C8H8N2O2/c1-3-4-6-7(11)9-5(2)10-8(6)12/h1H,4H2,2H3,(H2,9,10,11,12)
InChIKeyKWTNOGYWMFMTJP-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.04
Rot. Bonds1

About 4-hydroxy-2-methyl-5-prop-2-ynyl-1H-pyrimidin-6-one

4-hydroxy-2-methyl-5-prop-2-ynyl-1H-pyrimidin-6-one (PubChem CID 57428966) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-5-prop-2-ynyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-methyl-5-prop-2-ynyl-1H-pyrimidin-6-one
PubChem CID57428966
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name4-hydroxy-2-methyl-5-prop-2-ynyl-1H-pyrimidin-6-one
SMILESC#CCc1c(O)nc(C)[nH]c1=O
InChIInChI=1S/C8H8N2O2/c1-3-4-6-7(11)9-5(2)10-8(6)12/h1H,4H2,2H3,(H2,9,10,11,12)
InChIKeyKWTNOGYWMFMTJP-UHFFFAOYSA-N
XLogP-0.04
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-hydroxy-2-methyl-5-prop-2-ynyl-1H-pyrimidin-6-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 4-hydroxy-2-methyl-5-prop-2-ynyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-methyl-5-prop-2-ynyl-1H-pyrimidin-6-one (CID 57428966) is 4-hydroxy-2-methyl-5-prop-2-ynyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-methyl-5-prop-2-ynyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-methyl-5-prop-2-ynyl-1H-pyrimidin-6-one is C#CCc1c(O)nc(C)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-methyl-5-prop-2-ynyl-1H-pyrimidin-6-one?
The InChIKey is KWTNOGYWMFMTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-3-4-6-7(11)9-5(2)10-8(6)12/h1H,4H2,2H3,(H2,9,10,11,12).
What are the key properties of 4-hydroxy-2-methyl-5-prop-2-ynyl-1H-pyrimidin-6-one?
4-hydroxy-2-methyl-5-prop-2-ynyl-1H-pyrimidin-6-one has a molecular weight of 164.16 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-5-prop-2-ynyl-1H-pyrimidin-6-one is sourced from PubChem (CID 57428966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).