2-(2-fluoro-5-methylphenyl)-5-phenylmethoxy-1H-pyrimidin-6-one

C18H15FN2O2 — CID 142874278

IUPAC2-(2-fluoro-5-methylphenyl)-5-phenylmethoxy-1H-pyrimidin-6-one
SMILESCc1ccc(F)c(-c2ncc(OCc3ccccc3)c(=O)[nH]2)c1
InChIInChI=1S/C18H15FN2O2/c1-12-7-8-15(19)14(9-12)17-20-10-16(18(22)21-17)23-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeySQTPLGJRSXRICP-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.46
Rot. Bonds4

About 2-(2-fluoro-5-methylphenyl)-5-phenylmethoxy-1H-pyrimidin-6-one

2-(2-fluoro-5-methylphenyl)-5-phenylmethoxy-1H-pyrimidin-6-one (PubChem CID 142874278) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-(2-fluoro-5-methylphenyl)-5-phenylmethoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-fluoro-5-methylphenyl)-5-phenylmethoxy-1H-pyrimidin-6-one
PubChem CID142874278
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name2-(2-fluoro-5-methylphenyl)-5-phenylmethoxy-1H-pyrimidin-6-one
SMILESCc1ccc(F)c(-c2ncc(OCc3ccccc3)c(=O)[nH]2)c1
InChIInChI=1S/C18H15FN2O2/c1-12-7-8-15(19)14(9-12)17-20-10-16(18(22)21-17)23-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeySQTPLGJRSXRICP-UHFFFAOYSA-N
XLogP3.46
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(3,4-difluorophenyl)ethenyl]-3-methyl-4-(2-phenylmethoxyphenyl)-1H-pyridazin-6-one
CID 69398992
1-(4-ethynyl-2-phenylmethoxyphenyl)-2-fluoro-4-methylbenzene
CID 176508551
6-methyl-4-(4-methyl-2-phenylmethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 168585258
8-methyl-3-phenylmethoxypyrido[1,2-a]pyrimidin-4-one
CID 157197149
6-fluoro-2-methyl-7-phenylmethoxy-1H-quinolin-4-one
CID 22641455
1-iodo-4-methyl-2-phenylmethoxybenzene
CID 134208884
5-chloro-3-phenylmethoxy-1H-pyridin-2-one
CID 70036977
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
2-[4-methyl-2-(2-phenylmethoxyphenyl)phenyl]ethanamine
CID 164888238
4-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168590052
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
5-(4-methyl-2-phenylmethoxyphenyl)-2H-triazole-4-carboxamide
CID 169402321

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methylphenyl)-5-phenylmethoxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-fluoro-5-methylphenyl)-5-phenylmethoxy-1H-pyrimidin-6-one (CID 142874278) is 2-(2-fluoro-5-methylphenyl)-5-phenylmethoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-fluoro-5-methylphenyl)-5-phenylmethoxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-fluoro-5-methylphenyl)-5-phenylmethoxy-1H-pyrimidin-6-one is Cc1ccc(F)c(-c2ncc(OCc3ccccc3)c(=O)[nH]2)c1.
What is the InChIKey of 2-(2-fluoro-5-methylphenyl)-5-phenylmethoxy-1H-pyrimidin-6-one?
The InChIKey is SQTPLGJRSXRICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-12-7-8-15(19)14(9-12)17-20-10-16(18(22)21-17)23-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,21,22).
What are the key properties of 2-(2-fluoro-5-methylphenyl)-5-phenylmethoxy-1H-pyrimidin-6-one?
2-(2-fluoro-5-methylphenyl)-5-phenylmethoxy-1H-pyrimidin-6-one has a molecular weight of 310.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methylphenyl)-5-phenylmethoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 142874278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).