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

C18H16FN3O — CID 136741276

IUPAC2-(4-fluoro-3-methylanilino)-4-(4-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cc(=O)[nH]c(Nc3ccc(F)c(C)c3)n2)cc1
InChIInChI=1S/C18H16FN3O/c1-11-3-5-13(6-4-11)16-10-17(23)22-18(21-16)20-14-7-8-15(19)12(2)9-14/h3-10H,1-2H3,(H2,20,21,22,23)
InChIKeySKBHWZXTQJKKDX-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.94
Rot. Bonds3

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

2-(4-fluoro-3-methylanilino)-4-(4-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 136741276) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylanilino)-4-(4-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-fluoro-3-methylanilino)-4-(4-methylphenyl)-1H-pyrimidin-6-one
PubChem CID136741276
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name2-(4-fluoro-3-methylanilino)-4-(4-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cc(=O)[nH]c(Nc3ccc(F)c(C)c3)n2)cc1
InChIInChI=1S/C18H16FN3O/c1-11-3-5-13(6-4-11)16-10-17(23)22-18(21-16)20-14-7-8-15(19)12(2)9-14/h3-10H,1-2H3,(H2,20,21,22,23)
InChIKeySKBHWZXTQJKKDX-UHFFFAOYSA-N
XLogP3.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluoro-3-methylphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802815
2-(2-fluoro-4-methylanilino)-4-(3-methylphenyl)-1H-pyrimidin-6-one
CID 136741245
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one
CID 135645108
4-(4-methoxyphenyl)-2-[4-(trifluoromethyl)anilino]-1H-pyrimidin-6-one
CID 136741173
2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135460740
4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136955436
4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762516
2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 135727215
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one
CID 135644170
4-(3-methylphenyl)-2-(2,4,5-trifluoroanilino)-1H-pyrimidin-6-one
CID 136741236
2-(4-fluoro-2-methylanilino)-4-(3-methylphenyl)-1H-pyrimidin-6-one
CID 136741229
2-(3-bromoanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135773852

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylanilino)-4-(4-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-fluoro-3-methylanilino)-4-(4-methylphenyl)-1H-pyrimidin-6-one (CID 136741276) is 2-(4-fluoro-3-methylanilino)-4-(4-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-fluoro-3-methylanilino)-4-(4-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-fluoro-3-methylanilino)-4-(4-methylphenyl)-1H-pyrimidin-6-one is Cc1ccc(-c2cc(=O)[nH]c(Nc3ccc(F)c(C)c3)n2)cc1.
What is the InChIKey of 2-(4-fluoro-3-methylanilino)-4-(4-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is SKBHWZXTQJKKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-11-3-5-13(6-4-11)16-10-17(23)22-18(21-16)20-14-7-8-15(19)12(2)9-14/h3-10H,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-(4-fluoro-3-methylanilino)-4-(4-methylphenyl)-1H-pyrimidin-6-one?
2-(4-fluoro-3-methylanilino)-4-(4-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 309.34 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylanilino)-4-(4-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).