1-(3,3-difluorobutan-2-yl)-4-ethylpyrimidin-2-one

C10H14F2N2O — CID 123495237

IUPAC1-(3,3-difluorobutan-2-yl)-4-ethylpyrimidin-2-one
SMILESCCc1ccn(C(C)C(C)(F)F)c(=O)n1
InChIInChI=1S/C10H14F2N2O/c1-4-8-5-6-14(9(15)13-8)7(2)10(3,11)12/h5-7H,4H2,1-3H3
InChIKeyJYHWSQPPRNTSTF-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.02
Rot. Bonds3

About 1-(3,3-difluorobutan-2-yl)-4-ethylpyrimidin-2-one

1-(3,3-difluorobutan-2-yl)-4-ethylpyrimidin-2-one (PubChem CID 123495237) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-(3,3-difluorobutan-2-yl)-4-ethylpyrimidin-2-one.

Molecular Properties

Compound Name1-(3,3-difluorobutan-2-yl)-4-ethylpyrimidin-2-one
PubChem CID123495237
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name1-(3,3-difluorobutan-2-yl)-4-ethylpyrimidin-2-one
SMILESCCc1ccn(C(C)C(C)(F)F)c(=O)n1
InChIInChI=1S/C10H14F2N2O/c1-4-8-5-6-14(9(15)13-8)7(2)10(3,11)12/h5-7H,4H2,1-3H3
InChIKeyJYHWSQPPRNTSTF-UHFFFAOYSA-N
XLogP2.02
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-(trifluoromethyl)-1,2-dihydropyrimidine-2-one
CID 15074802
6-Amino-1-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-one
CID 21824405
1-(2-Methylpropyl)-4-(trifluoromethyl)pyrimidin-2-one
CID 67473381
5-Fluoro-4-methyl-1-propan-2-ylpyrimidin-2-one
CID 89965638
1-Prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
CID 25172760
1-(2-Fluoroethyl)-4-methylpyrimidin-2-one
CID 130485278
4-Methyl-1-propan-2-ylpyrimidin-2-one
CID 20735989
1,4-Diethylpyrimidin-2-one
CID 89508919
Ethane;4-methyl-1-propan-2-ylpyrimidin-2-one
CID 145063029
4-Ethanimidoyl-1-ethylpyrimidin-2-one
CID 163518147
1-Cyclopropyl-4-methylpyrimidin-2-one
CID 175615469
1-Butyl-4-methylpyrimidin-2-one
CID 122156729

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorobutan-2-yl)-4-ethylpyrimidin-2-one?
The IUPAC name of 1-(3,3-difluorobutan-2-yl)-4-ethylpyrimidin-2-one (CID 123495237) is 1-(3,3-difluorobutan-2-yl)-4-ethylpyrimidin-2-one.
What is the SMILES notation for 1-(3,3-difluorobutan-2-yl)-4-ethylpyrimidin-2-one?
The canonical SMILES for 1-(3,3-difluorobutan-2-yl)-4-ethylpyrimidin-2-one is CCc1ccn(C(C)C(C)(F)F)c(=O)n1.
What is the InChIKey of 1-(3,3-difluorobutan-2-yl)-4-ethylpyrimidin-2-one?
The InChIKey is JYHWSQPPRNTSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-4-8-5-6-14(9(15)13-8)7(2)10(3,11)12/h5-7H,4H2,1-3H3.
What are the key properties of 1-(3,3-difluorobutan-2-yl)-4-ethylpyrimidin-2-one?
1-(3,3-difluorobutan-2-yl)-4-ethylpyrimidin-2-one has a molecular weight of 216.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorobutan-2-yl)-4-ethylpyrimidin-2-one is sourced from PubChem (CID 123495237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).