ethane;1-ethyl-4-methylpyrimidin-2-one

C9H16N2O — CID 172576114

IUPACethane;1-ethyl-4-methylpyrimidin-2-one
SMILESCC.CCn1ccc(C)nc1=O
InChIInChI=1S/C7H10N2O.C2H6/c1-3-9-5-4-6(2)8-7(9)10;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyRZCNSMWQKJBSIJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.60
Rot. Bonds1

About ethane;1-ethyl-4-methylpyrimidin-2-one

ethane;1-ethyl-4-methylpyrimidin-2-one (PubChem CID 172576114) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is ethane;1-ethyl-4-methylpyrimidin-2-one.

Molecular Properties

Compound Nameethane;1-ethyl-4-methylpyrimidin-2-one
PubChem CID172576114
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Nameethane;1-ethyl-4-methylpyrimidin-2-one
SMILESCC.CCn1ccc(C)nc1=O
InChIInChI=1S/C7H10N2O.C2H6/c1-3-9-5-4-6(2)8-7(9)10;1-2/h4-5H,3H2,1-2H3;1-2H3
InChIKeyRZCNSMWQKJBSIJ-UHFFFAOYSA-N
XLogP1.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dimethylpyrimidin-2(1H)-one
CID 20494286
1-(2-Methylpropyl)-4-(trifluoromethyl)pyrimidin-2-one
CID 67473381
5-Fluoro-4-methyl-1-propan-2-ylpyrimidin-2-one
CID 89965638
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
ethane;1-propyl-4H-pyrimidin-4-id-2-one;yttrium
CID 60065674
1,4-Dipentylpyrimidin-2-one
CID 66633363

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-methylpyrimidin-2-one?
The IUPAC name of ethane;1-ethyl-4-methylpyrimidin-2-one (CID 172576114) is ethane;1-ethyl-4-methylpyrimidin-2-one.
What is the SMILES notation for ethane;1-ethyl-4-methylpyrimidin-2-one?
The canonical SMILES for ethane;1-ethyl-4-methylpyrimidin-2-one is CC.CCn1ccc(C)nc1=O.
What is the InChIKey of ethane;1-ethyl-4-methylpyrimidin-2-one?
The InChIKey is RZCNSMWQKJBSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.C2H6/c1-3-9-5-4-6(2)8-7(9)10;1-2/h4-5H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-methylpyrimidin-2-one?
ethane;1-ethyl-4-methylpyrimidin-2-one has a molecular weight of 168.24 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-methylpyrimidin-2-one is sourced from PubChem (CID 172576114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).