1-[(3-fluorophenyl)methyl]-5-methoxy-2-(4-methoxy-2-methylanilino)pyrimidin-4-one

C20H20FN3O3 — CID 134290575

IUPAC1-[(3-fluorophenyl)methyl]-5-methoxy-2-(4-methoxy-2-methylanilino)pyrimidin-4-one
SMILESCOc1ccc(Nc2nc(=O)c(OC)cn2Cc2cccc(F)c2)c(C)c1
InChIInChI=1S/C20H20FN3O3/c1-13-9-16(26-2)7-8-17(13)22-20-23-19(25)18(27-3)12-24(20)11-14-5-4-6-15(21)10-14/h4-10,12H,11H2,1-3H3,(H,22,23,25)
InChIKeyPNNNXAQMMFXLFI-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.50
Rot. Bonds6

About 1-[(3-fluorophenyl)methyl]-5-methoxy-2-(4-methoxy-2-methylanilino)pyrimidin-4-one

1-[(3-fluorophenyl)methyl]-5-methoxy-2-(4-methoxy-2-methylanilino)pyrimidin-4-one (PubChem CID 134290575) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-5-methoxy-2-(4-methoxy-2-methylanilino)pyrimidin-4-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-5-methoxy-2-(4-methoxy-2-methylanilino)pyrimidin-4-one
PubChem CID134290575
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name1-[(3-fluorophenyl)methyl]-5-methoxy-2-(4-methoxy-2-methylanilino)pyrimidin-4-one
SMILESCOc1ccc(Nc2nc(=O)c(OC)cn2Cc2cccc(F)c2)c(C)c1
InChIInChI=1S/C20H20FN3O3/c1-13-9-16(26-2)7-8-17(13)22-20-23-19(25)18(27-3)12-24(20)11-14-5-4-6-15(21)10-14/h4-10,12H,11H2,1-3H3,(H,22,23,25)
InChIKeyPNNNXAQMMFXLFI-UHFFFAOYSA-N
XLogP3.50
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxy-2-(5-methoxy-2-methylanilino)pyrimidin-4-one
CID 134464278
1-[(3,5-difluoro-4-methylphenyl)methyl]-5-fluoro-2-(4-methoxy-2-methylanilino)pyrimidin-4-one
CID 160805428
1-benzyl-2-(2-fluoro-3-methylanilino)-5-methoxypyrimidin-4-one
CID 134291629
2-[(3-fluorophenyl)methyl]-3-(4-methoxy-2-methylanilino)-1,2,4-triazin-5-one
CID 134291759
1-[(3-chloro-4-fluorophenyl)methyl]-2-(2,4-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290928
1-[(3,5-difluorophenyl)methyl]-2-(4-fluoro-5-methoxy-2-methylanilino)-5-methoxypyrimidin-4-one
CID 134290730
1-[(3-chlorophenyl)methyl]-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one
CID 134290593
5-methoxy-2-(2-methylanilino)-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134291142
1-benzyl-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one
CID 134469215
2-[4-(difluoromethoxy)-2-methylanilino]-1-[(3-ethyl-4,5-difluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 166805151
1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-[2-methyl-3-(trifluoromethyl)anilino]pyrimidin-4-one
CID 134290491
2-[(4-chloro-3,6-dimethylcyclohexa-1,3-dien-1-yl)amino]-1-[(3-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 163837953

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-5-methoxy-2-(4-methoxy-2-methylanilino)pyrimidin-4-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-5-methoxy-2-(4-methoxy-2-methylanilino)pyrimidin-4-one (CID 134290575) is 1-[(3-fluorophenyl)methyl]-5-methoxy-2-(4-methoxy-2-methylanilino)pyrimidin-4-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-5-methoxy-2-(4-methoxy-2-methylanilino)pyrimidin-4-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-5-methoxy-2-(4-methoxy-2-methylanilino)pyrimidin-4-one is COc1ccc(Nc2nc(=O)c(OC)cn2Cc2cccc(F)c2)c(C)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-5-methoxy-2-(4-methoxy-2-methylanilino)pyrimidin-4-one?
The InChIKey is PNNNXAQMMFXLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-13-9-16(26-2)7-8-17(13)22-20-23-19(25)18(27-3)12-24(20)11-14-5-4-6-15(21)10-14/h4-10,12H,11H2,1-3H3,(H,22,23,25).
What are the key properties of 1-[(3-fluorophenyl)methyl]-5-methoxy-2-(4-methoxy-2-methylanilino)pyrimidin-4-one?
1-[(3-fluorophenyl)methyl]-5-methoxy-2-(4-methoxy-2-methylanilino)pyrimidin-4-one has a molecular weight of 369.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-5-methoxy-2-(4-methoxy-2-methylanilino)pyrimidin-4-one is sourced from PubChem (CID 134290575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).