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

C12H11FN2O — CID 136692389

IUPAC2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccccc2F)cc(=O)[nH]1
InChIInChI=1S/C12H11FN2O/c1-2-11-14-10(7-12(16)15-11)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyQHMIMDPGOWBXIH-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.14
Rot. Bonds2

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

2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one (PubChem CID 136692389) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one
PubChem CID136692389
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one
SMILESCCc1nc(-c2ccccc2F)cc(=O)[nH]1
InChIInChI=1S/C12H11FN2O/c1-2-11-14-10(7-12(16)15-11)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyQHMIMDPGOWBXIH-UHFFFAOYSA-N
XLogP2.14
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-difluoro-4-methylphenyl)-2-ethyl-1H-pyrimidin-6-one
CID 136986671
4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136883194
4-(2-fluorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137000862
4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692393
4-(2,3-dimethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one
CID 136770020
2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one
CID 103241071
2-ethyl-4-(1H-pyrrol-2-yl)-1H-pyrimidin-6-one
CID 136770537
4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136955750
2-ethyl-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136823700
2-ethyl-4-(furan-2-yl)-1H-pyrimidin-6-one
CID 136692914
4-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136955655
2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136692538

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one (CID 136692389) is 2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one is CCc1nc(-c2ccccc2F)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one?
The InChIKey is QHMIMDPGOWBXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-2-11-14-10(7-12(16)15-11)8-5-3-4-6-9(8)13/h3-7H,2H2,1H3,(H,14,15,16).
What are the key properties of 2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one?
2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one has a molecular weight of 218.23 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136692389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).