4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one

C14H15FN2O — CID 136769751

IUPAC4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1c(F)cccc1-c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H15FN2O/c1-8(2)14-16-12(7-13(18)17-14)10-5-4-6-11(15)9(10)3/h4-8H,1-3H3,(H,16,17,18)
InChIKeyOZWAVTZUTSIUAW-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.01
Rot. Bonds2

About 4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136769751) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136769751
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1c(F)cccc1-c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H15FN2O/c1-8(2)14-16-12(7-13(18)17-14)10-5-4-6-11(15)9(10)3/h4-8H,1-3H3,(H,16,17,18)
InChIKeyOZWAVTZUTSIUAW-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-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136883194
4-(2,6-difluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769942
4-(3-fluoro-2-methylphenyl)-6-methyl-1H-pyrimidin-2-one
CID 106520134
4-(2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691878
4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136955436
4-(2-chloro-4-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136955703
4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one
CID 136769233
4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769281
4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136692391
4-(5-methylthiophen-3-yl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769330
4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770106
4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114578866

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136769751) is 4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one is Cc1c(F)cccc1-c1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is OZWAVTZUTSIUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-8(2)14-16-12(7-13(18)17-14)10-5-4-6-11(15)9(10)3/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of 4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-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-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136769751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).