ethane;3-ethylpyrimidin-4-one

C10H20N2O — CID 143577505

IUPACethane;3-ethylpyrimidin-4-one
SMILESCC.CC.CCn1cnccc1=O
InChIInChI=1S/C6H8N2O.2C2H6/c1-2-8-5-7-4-3-6(8)9;2*1-2/h3-5H,2H2,1H3;2*1-2H3
InChIKeyHDJFSDOOXJLLCO-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.32
Rot. Bonds1

About ethane;3-ethylpyrimidin-4-one

ethane;3-ethylpyrimidin-4-one (PubChem CID 143577505) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is ethane;3-ethylpyrimidin-4-one.

Molecular Properties

Compound Nameethane;3-ethylpyrimidin-4-one
PubChem CID143577505
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Nameethane;3-ethylpyrimidin-4-one
SMILESCC.CC.CCn1cnccc1=O
InChIInChI=1S/C6H8N2O.2C2H6/c1-2-8-5-7-4-3-6(8)9;2*1-2/h3-5H,2H2,1H3;2*1-2H3
InChIKeyHDJFSDOOXJLLCO-UHFFFAOYSA-N
XLogP2.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylpyrimidin-4(3H)-one
CID 301417
1-Methyl-4(1H)-pyrimidinone
CID 292249
2,3-Dimethyl-4(3H)-pyrimidinone
CID 544933
2-Methoxy-3-methyl-4(3H)-pyrimidinone
CID 21577889
1-Ethylpyrimidin-4-one
CID 426506
2-(6-Oxo-1,6-dihydropyrimidin-1-yl)acetonitrile
CID 45087635
1-Ethyl-2-methyl-1,4-dihydropyrimidin-4-one
CID 130153255
3-(1,1-Difluoroethyl)pyrimidin-4-one
CID 174957255
3-Ethyl-2-methylpyrimidin-4-one
CID 295916
3-Ethylpyrimidin-4-one
CID 303829
2-(1,1-Dimethylethyl)-3-methyl-4(3H)-pyrimidinone
CID 15744747
Buta-1,3-dienyl-1,6-dihydropyrimidin-6-one
CID 134612832

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethylpyrimidin-4-one?
The IUPAC name of ethane;3-ethylpyrimidin-4-one (CID 143577505) is ethane;3-ethylpyrimidin-4-one.
What is the SMILES notation for ethane;3-ethylpyrimidin-4-one?
The canonical SMILES for ethane;3-ethylpyrimidin-4-one is CC.CC.CCn1cnccc1=O.
What is the InChIKey of ethane;3-ethylpyrimidin-4-one?
The InChIKey is HDJFSDOOXJLLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.2C2H6/c1-2-8-5-7-4-3-6(8)9;2*1-2/h3-5H,2H2,1H3;2*1-2H3.
What are the key properties of ethane;3-ethylpyrimidin-4-one?
ethane;3-ethylpyrimidin-4-one has a molecular weight of 184.28 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethylpyrimidin-4-one is sourced from PubChem (CID 143577505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).