1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one

C22H25N3O3 — CID 134290688

IUPAC1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one
SMILESCCOc1cn(Cc2ccccc2)c(Nc2cc(C)c(OC)cc2C)nc1=O
InChIInChI=1S/C22H25N3O3/c1-5-28-20-14-25(13-17-9-7-6-8-10-17)22(24-21(20)26)23-18-11-16(3)19(27-4)12-15(18)2/h6-12,14H,5,13H2,1-4H3,(H,23,24,26)
InChIKeyJIKHMOALLBZLAA-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.06
Rot. Bonds7

About 1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one

1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one (PubChem CID 134290688) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one
PubChem CID134290688
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one
SMILESCCOc1cn(Cc2ccccc2)c(Nc2cc(C)c(OC)cc2C)nc1=O
InChIInChI=1S/C22H25N3O3/c1-5-28-20-14-25(13-17-9-7-6-8-10-17)22(24-21(20)26)23-18-11-16(3)19(27-4)12-15(18)2/h6-12,14H,5,13H2,1-4H3,(H,23,24,26)
InChIKeyJIKHMOALLBZLAA-UHFFFAOYSA-N
XLogP4.06
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,5-difluoro-4-methylphenyl)methyl]-2-(4-ethoxy-2,5-dimethylanilino)-5-methoxypyrimidin-4-one
CID 160805430
1-[(3-chloro-4-fluorophenyl)methyl]-2-(5-ethoxy-2,4-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290809
1-[(3,5-difluorophenyl)methyl]-2-(5-ethoxy-2,4-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134291615
1-benzyl-2-[5-(dihydroxyamino)-2-methylanilino]-5-methoxypyrimidin-4-one
CID 158183969
1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one
CID 134291274
1-[(3-chlorophenyl)methyl]-5-fluoro-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one
CID 134290458
1-benzyl-2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-5-methoxypyrimidin-4-one
CID 134291364
1-benzyl-2-(2-fluoro-3-methylanilino)-5-methoxypyrimidin-4-one
CID 134291629
3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide
CID 134290313
1-benzyl-5-methoxy-2-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrimidin-4-one
CID 134290429
1-benzyl-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one
CID 134469215
1-[(3-chloro-4-fluorophenyl)methyl]-2-(4,5-dimethoxy-2-methylanilino)-5-methoxypyrimidin-4-one
CID 134290266

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one?
The IUPAC name of 1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one (CID 134290688) is 1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one.
What is the SMILES notation for 1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one?
The canonical SMILES for 1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one is CCOc1cn(Cc2ccccc2)c(Nc2cc(C)c(OC)cc2C)nc1=O.
What is the InChIKey of 1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one?
The InChIKey is JIKHMOALLBZLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-5-28-20-14-25(13-17-9-7-6-8-10-17)22(24-21(20)26)23-18-11-16(3)19(27-4)12-15(18)2/h6-12,14H,5,13H2,1-4H3,(H,23,24,26).
What are the key properties of 1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one?
1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one has a molecular weight of 379.46 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one is sourced from PubChem (CID 134290688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).