5-acetyl-2,4-diethyl-1H-pyrimidin-6-one

C10H14N2O2 — CID 135837139

IUPAC5-acetyl-2,4-diethyl-1H-pyrimidin-6-one
SMILESCCc1nc(CC)c(C(C)=O)c(=O)[nH]1
InChIInChI=1S/C10H14N2O2/c1-4-7-9(6(3)13)10(14)12-8(5-2)11-7/h4-5H2,1-3H3,(H,11,12,14)
InChIKeyKDXNMVNGZBOTQX-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.10
Rot. Bonds3

About 5-acetyl-2,4-diethyl-1H-pyrimidin-6-one

5-acetyl-2,4-diethyl-1H-pyrimidin-6-one (PubChem CID 135837139) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-acetyl-2,4-diethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-acetyl-2,4-diethyl-1H-pyrimidin-6-one
PubChem CID135837139
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name5-acetyl-2,4-diethyl-1H-pyrimidin-6-one
SMILESCCc1nc(CC)c(C(C)=O)c(=O)[nH]1
InChIInChI=1S/C10H14N2O2/c1-4-7-9(6(3)13)10(14)12-8(5-2)11-7/h4-5H2,1-3H3,(H,11,12,14)
InChIKeyKDXNMVNGZBOTQX-UHFFFAOYSA-N
XLogP1.10
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 175919172
3,6-diethyl-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 137274403
5-acetyl-1-ethyl-6-methylpyrimidine-2,4-dione
CID 151232470
2-ethyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 46734408
2-(4,5-diethyl-1H-imidazol-2-yl)acetic acid
CID 105440018
4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane
CID 158824343
4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one
CID 143553883
1-(5,6-dimethyl-2-methylsulfanylpyrimidin-4-yl)ethanone;1-(4-ethyl-6-methyl-2-methylsulfanylpyrimidin-5-yl)ethanone
CID 159996571
3-(4,5-diethyl-1H-imidazol-2-yl)propanoic acid
CID 105449949
3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one
CID 15555017
1-(5-ethyl-2H-triazol-4-yl)ethanone
CID 20871966
4,6-diethyl-2-methylpyrimidine-5-carboxylic acid
CID 71434909

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2,4-diethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-acetyl-2,4-diethyl-1H-pyrimidin-6-one (CID 135837139) is 5-acetyl-2,4-diethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-acetyl-2,4-diethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-acetyl-2,4-diethyl-1H-pyrimidin-6-one is CCc1nc(CC)c(C(C)=O)c(=O)[nH]1.
What is the InChIKey of 5-acetyl-2,4-diethyl-1H-pyrimidin-6-one?
The InChIKey is KDXNMVNGZBOTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-4-7-9(6(3)13)10(14)12-8(5-2)11-7/h4-5H2,1-3H3,(H,11,12,14).
What are the key properties of 5-acetyl-2,4-diethyl-1H-pyrimidin-6-one?
5-acetyl-2,4-diethyl-1H-pyrimidin-6-one has a molecular weight of 194.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2,4-diethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135837139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).