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

C9H10N2O — CID 130725385

IUPAC6-ethyl-3-prop-2-ynylpyrimidin-4-one
SMILESC#CCn1cnc(CC)cc1=O
InChIInChI=1S/C9H10N2O/c1-3-5-11-7-10-8(4-2)6-9(11)12/h1,6-7H,4-5H2,2H3
InChIKeyWSZMYSRAMCGLNQ-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.44
Rot. Bonds2

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

6-ethyl-3-prop-2-ynylpyrimidin-4-one (PubChem CID 130725385) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 6-ethyl-3-prop-2-ynylpyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-prop-2-ynylpyrimidin-4-one
PubChem CID130725385
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name6-ethyl-3-prop-2-ynylpyrimidin-4-one
SMILESC#CCn1cnc(CC)cc1=O
InChIInChI=1S/C9H10N2O/c1-3-5-11-7-10-8(4-2)6-9(11)12/h1,6-7H,4-5H2,2H3
InChIKeyWSZMYSRAMCGLNQ-UHFFFAOYSA-N
XLogP0.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminopropyl)-6-ethylpyrimidin-4-one
CID 130878021
2-chloro-3-(4-ethyl-6-oxopyrimidin-1-yl)propanenitrile
CID 131067975
5,6-dimethyl-3-prop-2-ynylpyrimidin-4-one
CID 126996184
N,N-dibenzyl-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064379
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 121064314
5,6-dichloro-3-prop-2-ynylpyrimidin-4-one
CID 114583014
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 121064311
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 121064318
N-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064373
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064355
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 121064421
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
CID 121119568

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-prop-2-ynylpyrimidin-4-one?
The IUPAC name of 6-ethyl-3-prop-2-ynylpyrimidin-4-one (CID 130725385) is 6-ethyl-3-prop-2-ynylpyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-prop-2-ynylpyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-prop-2-ynylpyrimidin-4-one is C#CCn1cnc(CC)cc1=O.
What is the InChIKey of 6-ethyl-3-prop-2-ynylpyrimidin-4-one?
The InChIKey is WSZMYSRAMCGLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-3-5-11-7-10-8(4-2)6-9(11)12/h1,6-7H,4-5H2,2H3.
What are the key properties of 6-ethyl-3-prop-2-ynylpyrimidin-4-one?
6-ethyl-3-prop-2-ynylpyrimidin-4-one has a molecular weight of 162.19 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-prop-2-ynylpyrimidin-4-one is sourced from PubChem (CID 130725385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).