4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one

C12H11FN2O — CID 135549350

IUPAC4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(F)cc2)c(C)c(=O)[nH]1
InChIInChI=1S/C12H11FN2O/c1-7-11(14-8(2)15-12(7)16)9-3-5-10(13)6-4-9/h3-6H,1-2H3,(H,14,15,16)
InChIKeyXSDJBRKQLXWBCS-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.19
Rot. Bonds1

About 4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one

4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135549350) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135549350
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(F)cc2)c(C)c(=O)[nH]1
InChIInChI=1S/C12H11FN2O/c1-7-11(14-8(2)15-12(7)16)9-3-5-10(13)6-4-9/h3-6H,1-2H3,(H,14,15,16)
InChIKeyXSDJBRKQLXWBCS-UHFFFAOYSA-N
XLogP2.19
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-6-phenyl-4-pyrimidinol
CID 135443077
6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
6-Ethyl-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 684434
Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-methyl-5-phenyl-
CID 2818813
6-Methyl-2-(4-(trifluoromethyl)phenyl)pyrimidin-4-ol
CID 135435537
2-(4-Fluoro-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 804445
5,6-Diamino-2-phenylpyrimidin-4(3H)-one
CID 135401368
6-(2,6-Difluorophenylmethyl)-3,4-dihydro-5-methyl-2-(methylthio)pyrimidin-4(3H)-one
CID 135402788
5-Methyl-2,6-diphenyl-4-pyrimidinol
CID 135401354
5,6-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 810712
6-Methyl-2-(3-methylphenyl)pyrimidin-4-ol
CID 135472983
4-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 135410007

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one (CID 135549350) is 4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(-c2ccc(F)cc2)c(C)c(=O)[nH]1.
What is the InChIKey of 4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is XSDJBRKQLXWBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-7-11(14-8(2)15-12(7)16)9-3-5-10(13)6-4-9/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one?
4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 218.23 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135549350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).