4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one

C14H15FN2O2 — CID 136769281

IUPAC4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1ccc(F)cc1-c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H15FN2O2/c1-8(2)14-16-11(7-13(18)17-14)10-6-9(15)4-5-12(10)19-3/h4-8H,1-3H3,(H,16,17,18)
InChIKeyXDTIXLSMKJOZRI-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.71
Rot. Bonds3

About 4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136769281) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136769281
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCOc1ccc(F)cc1-c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C14H15FN2O2/c1-8(2)14-16-11(7-13(18)17-14)10-6-9(15)4-5-12(10)19-3/h4-8H,1-3H3,(H,16,17,18)
InChIKeyXDTIXLSMKJOZRI-UHFFFAOYSA-N
XLogP2.71
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691878
4-(2-chloro-4-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136955703
4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136883194
4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one
CID 136769276
6-(5-fluoro-2-methoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106518318
4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770106
2-[4-(5-fluoro-2-methoxyphenyl)phenyl]-4-methyl-1H-pyrimidin-6-one
CID 137255591
4-(2,6-difluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769942
4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136955436
4-(4-amino-2-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114578645
6-(5-fluoro-2-methoxyphenyl)pyridin-2-amine
CID 61026023
4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole
CID 4984858

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136769281) is 4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one is COc1ccc(F)cc1-c1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is XDTIXLSMKJOZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-8(2)14-16-11(7-13(18)17-14)10-6-9(15)4-5-12(10)19-3/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 262.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136769281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).