4-hydroxy-2-prop-2-enyl-1H-pyrimidin-6-one

C7H8N2O2 — CID 66915600

IUPAC4-hydroxy-2-prop-2-enyl-1H-pyrimidin-6-one
SMILESC=CCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H8N2O2/c1-2-3-5-8-6(10)4-7(11)9-5/h2,4H,1,3H2,(H2,8,9,10,11)
InChIKeyFPGQRQUNFRQUIF-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.20
Rot. Bonds2

About 4-hydroxy-2-prop-2-enyl-1H-pyrimidin-6-one

4-hydroxy-2-prop-2-enyl-1H-pyrimidin-6-one (PubChem CID 66915600) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 4-hydroxy-2-prop-2-enyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-prop-2-enyl-1H-pyrimidin-6-one
PubChem CID66915600
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name4-hydroxy-2-prop-2-enyl-1H-pyrimidin-6-one
SMILESC=CCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H8N2O2/c1-2-3-5-8-6(10)4-7(11)9-5/h2,4H,1,3H2,(H2,8,9,10,11)
InChIKeyFPGQRQUNFRQUIF-UHFFFAOYSA-N
XLogP0.20
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-prop-2-enyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-prop-2-enyl-1H-pyrimidin-6-one (CID 66915600) is 4-hydroxy-2-prop-2-enyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-prop-2-enyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-prop-2-enyl-1H-pyrimidin-6-one is C=CCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-prop-2-enyl-1H-pyrimidin-6-one?
The InChIKey is FPGQRQUNFRQUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-2-3-5-8-6(10)4-7(11)9-5/h2,4H,1,3H2,(H2,8,9,10,11).
What are the key properties of 4-hydroxy-2-prop-2-enyl-1H-pyrimidin-6-one?
4-hydroxy-2-prop-2-enyl-1H-pyrimidin-6-one has a molecular weight of 152.15 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-prop-2-enyl-1H-pyrimidin-6-one is sourced from PubChem (CID 66915600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).