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

C14H15FN2O — CID 59016554

IUPAC4-(4-fluorophenyl)-5-methyl-6-propan-2-yl-1H-pyrimidin-2-one
SMILESCc1c(-c2ccc(F)cc2)nc(=O)[nH]c1C(C)C
InChIInChI=1S/C14H15FN2O/c1-8(2)12-9(3)13(17-14(18)16-12)10-4-6-11(15)7-5-10/h4-8H,1-3H3,(H,16,17,18)
InChIKeyLAEFOXQOQQGTBX-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.01
Rot. Bonds2

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

4-(4-fluorophenyl)-5-methyl-6-propan-2-yl-1H-pyrimidin-2-one (PubChem CID 59016554) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-methyl-6-propan-2-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-methyl-6-propan-2-yl-1H-pyrimidin-2-one
PubChem CID59016554
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name4-(4-fluorophenyl)-5-methyl-6-propan-2-yl-1H-pyrimidin-2-one
SMILESCc1c(-c2ccc(F)cc2)nc(=O)[nH]c1C(C)C
InChIInChI=1S/C14H15FN2O/c1-8(2)12-9(3)13(17-14(18)16-12)10-4-6-11(15)7-5-10/h4-8H,1-3H3,(H,16,17,18)
InChIKeyLAEFOXQOQQGTBX-UHFFFAOYSA-N
XLogP3.01
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenyl-6-(trifluoromethyl)pyrimidin-2-ol
CID 746778
4-(4-methylphenyl)-8-propyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
CID 168276043
6-Methyl-4-phenyl-1H-pyrimidin-2-one
CID 233401
5-(2,6-Difluorophenyl)-1,3-dihydrobenzimidazol-2-one
CID 155295265
US10611730, Example 54
CID 155295267
4-[(1E)-2-phenylethenyl]-6-(trifluoromethyl)pyrimidin-2-ol
CID 5768618
4-[2-(2,4-difluorophenyl)vinyl]-6-(trifluoromethyl)-2(1H)-pyrimidinone
CID 5349901
2-Oxo-4-phenyl-6-(1,1,2,2-tetrafluoroethyl)-1,2-dihydropyrimidine
CID 129738905
4-[(E)-2-(3-fluorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2(1H)-one
CID 5939782
4-(Trifluoromethyl)-6-(4-iodophenyl)-pyrimidin-2(1h)-one
CID 125492218
6-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrimidin-2-one
CID 138980158
4-Benzylquinazolin-2(1H)-one
CID 84819699

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-methyl-6-propan-2-yl-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-fluorophenyl)-5-methyl-6-propan-2-yl-1H-pyrimidin-2-one (CID 59016554) is 4-(4-fluorophenyl)-5-methyl-6-propan-2-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-fluorophenyl)-5-methyl-6-propan-2-yl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-fluorophenyl)-5-methyl-6-propan-2-yl-1H-pyrimidin-2-one is Cc1c(-c2ccc(F)cc2)nc(=O)[nH]c1C(C)C.
What is the InChIKey of 4-(4-fluorophenyl)-5-methyl-6-propan-2-yl-1H-pyrimidin-2-one?
The InChIKey is LAEFOXQOQQGTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-8(2)12-9(3)13(17-14(18)16-12)10-4-6-11(15)7-5-10/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of 4-(4-fluorophenyl)-5-methyl-6-propan-2-yl-1H-pyrimidin-2-one?
4-(4-fluorophenyl)-5-methyl-6-propan-2-yl-1H-pyrimidin-2-one has a molecular weight of 246.28 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-methyl-6-propan-2-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 59016554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).