2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one

C19H19FN4O2 — CID 145174002

IUPAC2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one
SMILESCOc1cn(Cc2ccccn2)c(Nc2cc(C)c(F)cc2C)nc1=O
InChIInChI=1S/C19H19FN4O2/c1-12-9-16(13(2)8-15(12)20)22-19-23-18(25)17(26-3)11-24(19)10-14-6-4-5-7-21-14/h4-9,11H,10H2,1-3H3,(H,22,23,25)
InChIKeyNJLQFHFGTAWINQ-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.19
Rot. Bonds5

About 2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one

2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one (PubChem CID 145174002) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one
PubChem CID145174002
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one
SMILESCOc1cn(Cc2ccccn2)c(Nc2cc(C)c(F)cc2C)nc1=O
InChIInChI=1S/C19H19FN4O2/c1-12-9-16(13(2)8-15(12)20)22-19-23-18(25)17(26-3)11-24(19)10-14-6-4-5-7-21-14/h4-9,11H,10H2,1-3H3,(H,22,23,25)
InChIKeyNJLQFHFGTAWINQ-UHFFFAOYSA-N
XLogP3.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-2-(2-methylanilino)-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134291142
2-(4-chloro-2,5-dimethylanilino)-1-[(3,4-difluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290631
1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one
CID 134290688
1-[(3-chloro-4-fluorophenyl)methyl]-2-(4,5-dimethoxy-2-methylanilino)-5-methoxypyrimidin-4-one
CID 134290266
1-[(3,5-difluorophenyl)methyl]-2-(5-ethoxy-2,4-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134291615
1-[(3-chloro-4-fluorophenyl)methyl]-2-(5-fluoro-4-methoxy-2-methylanilino)-5-methoxypyrimidin-4-one
CID 134290710
1-benzyl-2-(2-fluoro-3-methylanilino)-5-methoxypyrimidin-4-one
CID 134291629
1-[(3,4-difluorophenyl)methyl]-2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-5-methoxypyrimidin-4-one
CID 134291028
5-fluoro-2-(4-fluoro-5-methoxy-2-methylanilino)-1-[(3-fluoro-5-methylphenyl)methyl]pyrimidin-4-one
CID 134464286
1-[(3-chloro-4-fluorophenyl)methyl]-2-(2,4-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290928
1-[(3-fluorophenyl)methyl]-5-methoxy-2-(4-methoxy-2-methylanilino)pyrimidin-4-one
CID 134290575
1-[(3,5-difluorophenyl)methyl]-5-methoxy-2-[2-methyl-3-(trifluoromethyl)anilino]pyrimidin-4-one
CID 134290491

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one (CID 145174002) is 2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one is COc1cn(Cc2ccccn2)c(Nc2cc(C)c(F)cc2C)nc1=O.
What is the InChIKey of 2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one?
The InChIKey is NJLQFHFGTAWINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-12-9-16(13(2)8-15(12)20)22-19-23-18(25)17(26-3)11-24(19)10-14-6-4-5-7-21-14/h4-9,11H,10H2,1-3H3,(H,22,23,25).
What are the key properties of 2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one?
2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one has a molecular weight of 354.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2,5-dimethylanilino)-5-methoxy-1-(pyridin-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 145174002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).