ethane;4-methyl-1-propan-2-ylpyrimidin-2-one

C10H18N2O — CID 145063029

IUPACethane;4-methyl-1-propan-2-ylpyrimidin-2-one
SMILESCC.Cc1ccn(C(C)C)c(=O)n1
InChIInChI=1S/C8H12N2O.C2H6/c1-6(2)10-5-4-7(3)9-8(10)11;1-2/h4-6H,1-3H3;1-2H3
InChIKeySLOMKRONIRBQEL-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.16
Rot. Bonds1

About ethane;4-methyl-1-propan-2-ylpyrimidin-2-one

ethane;4-methyl-1-propan-2-ylpyrimidin-2-one (PubChem CID 145063029) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is ethane;4-methyl-1-propan-2-ylpyrimidin-2-one.

Molecular Properties

Compound Nameethane;4-methyl-1-propan-2-ylpyrimidin-2-one
PubChem CID145063029
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Nameethane;4-methyl-1-propan-2-ylpyrimidin-2-one
SMILESCC.Cc1ccn(C(C)C)c(=O)n1
InChIInChI=1S/C8H12N2O.C2H6/c1-6(2)10-5-4-7(3)9-8(10)11;1-2/h4-6H,1-3H3;1-2H3
InChIKeySLOMKRONIRBQEL-UHFFFAOYSA-N
XLogP2.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dimethylpyrimidin-2(1H)-one
CID 20494286
5-Fluoro-4-methyl-1-propan-2-ylpyrimidin-2-one
CID 89965638
1-(3,3-Difluorobutan-2-yl)-4-ethylpyrimidin-2-one
CID 123495237
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
4-Methyl-2-methylidene-1-propan-2-ylpyrimidine
CID 66798302
1-Ethyl-4-methylpyrimidin-2-one
CID 68421518

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-propan-2-ylpyrimidin-2-one?
The IUPAC name of ethane;4-methyl-1-propan-2-ylpyrimidin-2-one (CID 145063029) is ethane;4-methyl-1-propan-2-ylpyrimidin-2-one.
What is the SMILES notation for ethane;4-methyl-1-propan-2-ylpyrimidin-2-one?
The canonical SMILES for ethane;4-methyl-1-propan-2-ylpyrimidin-2-one is CC.Cc1ccn(C(C)C)c(=O)n1.
What is the InChIKey of ethane;4-methyl-1-propan-2-ylpyrimidin-2-one?
The InChIKey is SLOMKRONIRBQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.C2H6/c1-6(2)10-5-4-7(3)9-8(10)11;1-2/h4-6H,1-3H3;1-2H3.
What are the key properties of ethane;4-methyl-1-propan-2-ylpyrimidin-2-one?
ethane;4-methyl-1-propan-2-ylpyrimidin-2-one has a molecular weight of 182.27 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-propan-2-ylpyrimidin-2-one is sourced from PubChem (CID 145063029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).