6-methyl-3-prop-2-ynylpyrimidin-4-one

C8H8N2O — CID 61342662

IUPAC6-methyl-3-prop-2-ynylpyrimidin-4-one
SMILESC#CCn1cnc(C)cc1=O
InChIInChI=1S/C8H8N2O/c1-3-4-10-6-9-7(2)5-8(10)11/h1,5-6H,4H2,2H3
InChIKeyOWNSDCNHMDMREA-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.18
Rot. Bonds1

About 6-methyl-3-prop-2-ynylpyrimidin-4-one

6-methyl-3-prop-2-ynylpyrimidin-4-one (PubChem CID 61342662) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 6-methyl-3-prop-2-ynylpyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-prop-2-ynylpyrimidin-4-one
PubChem CID61342662
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name6-methyl-3-prop-2-ynylpyrimidin-4-one
SMILESC#CCn1cnc(C)cc1=O
InChIInChI=1S/C8H8N2O/c1-3-4-10-6-9-7(2)5-8(10)11/h1,5-6H,4H2,2H3
InChIKeyOWNSDCNHMDMREA-UHFFFAOYSA-N
XLogP0.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-prop-2-ynylpyrimidin-4-one?
The IUPAC name of 6-methyl-3-prop-2-ynylpyrimidin-4-one (CID 61342662) is 6-methyl-3-prop-2-ynylpyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-prop-2-ynylpyrimidin-4-one?
The canonical SMILES for 6-methyl-3-prop-2-ynylpyrimidin-4-one is C#CCn1cnc(C)cc1=O.
What is the InChIKey of 6-methyl-3-prop-2-ynylpyrimidin-4-one?
The InChIKey is OWNSDCNHMDMREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-3-4-10-6-9-7(2)5-8(10)11/h1,5-6H,4H2,2H3.
What are the key properties of 6-methyl-3-prop-2-ynylpyrimidin-4-one?
6-methyl-3-prop-2-ynylpyrimidin-4-one has a molecular weight of 148.16 g/mol, XLogP of 0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-prop-2-ynylpyrimidin-4-one is sourced from PubChem (CID 61342662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).