4-ethanimidoyl-1-ethylpyrimidin-2-one

C8H11N3O — CID 163518147

IUPAC4-ethanimidoyl-1-ethylpyrimidin-2-one
SMILES[H]/N=C(\C)c1ccn(CC)c(=O)n1
InChIInChI=1S/C8H11N3O/c1-3-11-5-4-7(6(2)9)10-8(11)12/h4-5,9H,3H2,1-2H3/b9-6+
InChIKeyDINHQTMZNSGPJQ-RMKNXTFCSA-N
MW165.20 g/mol
LogP0.65
Rot. Bonds2

About 4-ethanimidoyl-1-ethylpyrimidin-2-one

4-ethanimidoyl-1-ethylpyrimidin-2-one (PubChem CID 163518147) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-ethanimidoyl-1-ethylpyrimidin-2-one.

Molecular Properties

Compound Name4-ethanimidoyl-1-ethylpyrimidin-2-one
PubChem CID163518147
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-ethanimidoyl-1-ethylpyrimidin-2-one
SMILES[H]/N=C(\C)c1ccn(CC)c(=O)n1
InChIInChI=1S/C8H11N3O/c1-3-11-5-4-7(6(2)9)10-8(11)12/h4-5,9H,3H2,1-2H3/b9-6+
InChIKeyDINHQTMZNSGPJQ-RMKNXTFCSA-N
XLogP0.65
TPSA58.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,4-Dimethylpyrimidin-2(1H)-one
CID 20494286
Pyrimidine, 4-t-butyl-1,2-dihydro-1-methyl-2-oxo-
CID 59549205
1-(3,3-Difluorobutan-2-yl)-4-ethylpyrimidin-2-one
CID 123495237
4-Amino-3-ethyl-8-methylpyrido[3,4-d]pyrimidin-2-one
CID 13850179
1-(2-Fluoroethyl)-4-methylpyrimidin-2-one
CID 130485278
4-Methyl-1-propan-2-ylpyrimidin-2-one
CID 20735989
1,4-Ditert-butylpyrimidin-2-one
CID 23591874
1-Tert-butyl-4-methylpyrimidin-2-one
CID 57816392
4-Ethyl-1-methylpyrimidin-2-one
CID 58719935
4-Tert-butyl-1-propan-2-ylpyrimidin-2-one
CID 59709221
1,4-Di(propan-2-yl)pyrimidin-2-one
CID 59709242
3-ethyl-4-methyl-1H-pyrimidin-3-ium-2-one
CID 68421517

Frequently Asked Questions

What is the IUPAC name of 4-ethanimidoyl-1-ethylpyrimidin-2-one?
The IUPAC name of 4-ethanimidoyl-1-ethylpyrimidin-2-one (CID 163518147) is 4-ethanimidoyl-1-ethylpyrimidin-2-one.
What is the SMILES notation for 4-ethanimidoyl-1-ethylpyrimidin-2-one?
The canonical SMILES for 4-ethanimidoyl-1-ethylpyrimidin-2-one is [H]/N=C(\C)c1ccn(CC)c(=O)n1.
What is the InChIKey of 4-ethanimidoyl-1-ethylpyrimidin-2-one?
The InChIKey is DINHQTMZNSGPJQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H11N3O/c1-3-11-5-4-7(6(2)9)10-8(11)12/h4-5,9H,3H2,1-2H3/b9-6+.
What are the key properties of 4-ethanimidoyl-1-ethylpyrimidin-2-one?
4-ethanimidoyl-1-ethylpyrimidin-2-one has a molecular weight of 165.20 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethanimidoyl-1-ethylpyrimidin-2-one is sourced from PubChem (CID 163518147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).