4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one

C13H13FN2O — CID 136668750

IUPAC4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccccc2F)[nH]c(=O)c1C
InChIInChI=1S/C13H13FN2O/c1-3-11-8(2)13(17)16-12(15-11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeyADQSNOVJHVGSEZ-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.45
Rot. Bonds2

About 4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one

4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136668750) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136668750
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccccc2F)[nH]c(=O)c1C
InChIInChI=1S/C13H13FN2O/c1-3-11-8(2)13(17)16-12(15-11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeyADQSNOVJHVGSEZ-UHFFFAOYSA-N
XLogP2.45
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 47141970
2-[3-(difluoromethyl)phenyl]-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 137012814
2-(2-bromo-5-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136774553
5-bromo-2-(3-chloro-2-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one
CID 136987476
4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136692391
2-(2-chloro-6-methoxyphenyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136775571
2-(5-chloro-1-methylimidazol-2-yl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136932082
2-(4,5-diethyl-1H-imidazol-2-yl)phenol
CID 139127100
4-amino-2-(4-fluoronaphthalen-1-yl)-5-methyl-1H-pyrimidin-6-one
CID 136720496
4-(chloromethyl)-2-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 136740682
2-(2-fluorophenyl)-5-(methylamino)-1H-pyrimidin-6-one
CID 83888556
2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 136692389

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one (CID 136668750) is 4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one is CCc1nc(-c2ccccc2F)[nH]c(=O)c1C.
What is the InChIKey of 4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is ADQSNOVJHVGSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-3-11-8(2)13(17)16-12(15-11)9-6-4-5-7-10(9)14/h4-7H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one?
4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 232.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-fluorophenyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136668750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).