2-[4-(5-fluoro-2-methoxyphenyl)phenyl]-4-methyl-1H-pyrimidin-6-one

C18H15FN2O2 — CID 137255591

IUPAC2-[4-(5-fluoro-2-methoxyphenyl)phenyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(F)cc1-c1ccc(-c2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C18H15FN2O2/c1-11-9-17(22)21-18(20-11)13-5-3-12(4-6-13)15-10-14(19)7-8-16(15)23-2/h3-10H,1-2H3,(H,20,21,22)
InChIKeyHDNYQIFTYUKKMN-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.56
Rot. Bonds3

About 2-[4-(5-fluoro-2-methoxyphenyl)phenyl]-4-methyl-1H-pyrimidin-6-one

2-[4-(5-fluoro-2-methoxyphenyl)phenyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137255591) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-[4-(5-fluoro-2-methoxyphenyl)phenyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(5-fluoro-2-methoxyphenyl)phenyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137255591
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name2-[4-(5-fluoro-2-methoxyphenyl)phenyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOc1ccc(F)cc1-c1ccc(-c2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C18H15FN2O2/c1-11-9-17(22)21-18(20-11)13-5-3-12(4-6-13)15-10-14(19)7-8-16(15)23-2/h3-10H,1-2H3,(H,20,21,22)
InChIKeyHDNYQIFTYUKKMN-UHFFFAOYSA-N
XLogP3.56
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-4-methyl-1H-pyrimidin-6-one
CID 135629608
2-[[4-methoxy-3-[4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]phenyl]methyl-methylamino]acetamide
CID 165418117
4-methyl-2-(4-pyridin-4-ylphenyl)-1H-pyrimidin-6-one
CID 136993255
4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769281
2-(2,6-dimethyl-4-pyridinyl)-4-methyl-1H-pyrimidin-6-one
CID 136773443
2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide
CID 136773095
3-(4-fluorophenyl)-4-methoxybenzaldehyde
CID 22391234
5-(5-fluoro-2-methoxyphenyl)-2-methylphenol
CID 53218963
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498
2-chloro-5-(5-fluoro-2-methoxyphenyl)pyridine
CID 154604158
2-(3-bromo-4-methylphenyl)-4-methyl-1H-pyrimidin-6-one
CID 136701853
4-(5-fluoro-2-methoxyphenyl)-1H-pyrimidin-6-one
CID 136769276

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-2-methoxyphenyl)phenyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(5-fluoro-2-methoxyphenyl)phenyl]-4-methyl-1H-pyrimidin-6-one (CID 137255591) is 2-[4-(5-fluoro-2-methoxyphenyl)phenyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(5-fluoro-2-methoxyphenyl)phenyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(5-fluoro-2-methoxyphenyl)phenyl]-4-methyl-1H-pyrimidin-6-one is COc1ccc(F)cc1-c1ccc(-c2nc(C)cc(=O)[nH]2)cc1.
What is the InChIKey of 2-[4-(5-fluoro-2-methoxyphenyl)phenyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is HDNYQIFTYUKKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-11-9-17(22)21-18(20-11)13-5-3-12(4-6-13)15-10-14(19)7-8-16(15)23-2/h3-10H,1-2H3,(H,20,21,22).
What are the key properties of 2-[4-(5-fluoro-2-methoxyphenyl)phenyl]-4-methyl-1H-pyrimidin-6-one?
2-[4-(5-fluoro-2-methoxyphenyl)phenyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 310.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-2-methoxyphenyl)phenyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137255591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).