1-benzyl-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one

C21H23N3O3 — CID 134469215

IUPAC1-benzyl-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one
SMILESCCc1ccc(OC)cc1Nc1nc(=O)c(OC)cn1Cc1ccccc1
InChIInChI=1S/C21H23N3O3/c1-4-16-10-11-17(26-2)12-18(16)22-21-23-20(25)19(27-3)14-24(21)13-15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3,(H,22,23,25)
InChIKeyJJDCYIJKAINIMK-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.61
Rot. Bonds7

About 1-benzyl-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one

1-benzyl-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one (PubChem CID 134469215) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-benzyl-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one
PubChem CID134469215
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-benzyl-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one
SMILESCCc1ccc(OC)cc1Nc1nc(=O)c(OC)cn1Cc1ccccc1
InChIInChI=1S/C21H23N3O3/c1-4-16-10-11-17(26-2)12-18(16)22-21-23-20(25)19(27-3)14-24(21)13-15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3,(H,22,23,25)
InChIKeyJJDCYIJKAINIMK-UHFFFAOYSA-N
XLogP3.61
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-chlorophenyl)methyl]-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one
CID 134290593
2-(5-chloro-2-ethylanilino)-1-[(3-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290957
1-benzyl-5-methoxy-2-(2-phenoxyanilino)pyrimidin-4-one
CID 134290299
1-benzyl-2-[2-(fluoromethyl)anilino]-5-methoxypyrimidin-4-one
CID 134290987
1-benzyl-2-(2-fluoro-3-methylanilino)-5-methoxypyrimidin-4-one
CID 134291629
1-[(3-fluorophenyl)methyl]-5-methoxy-2-(4-methoxy-2-methylanilino)pyrimidin-4-one
CID 134290575
1-benzyl-2-[5-(dihydroxyamino)-2-methylanilino]-5-methoxypyrimidin-4-one
CID 158183969
1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one
CID 134290688
1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxy-2-(5-methoxy-2-methylanilino)pyrimidin-4-one
CID 134464278
3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide
CID 134290313
1-benzyl-5-methoxy-2-[(5-methyl-1H-indazol-6-yl)amino]pyrimidin-4-one
CID 134291274
1-benzyl-2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-5-methoxypyrimidin-4-one
CID 134291364

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one?
The IUPAC name of 1-benzyl-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one (CID 134469215) is 1-benzyl-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one.
What is the SMILES notation for 1-benzyl-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one?
The canonical SMILES for 1-benzyl-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one is CCc1ccc(OC)cc1Nc1nc(=O)c(OC)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one?
The InChIKey is JJDCYIJKAINIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-16-10-11-17(26-2)12-18(16)22-21-23-20(25)19(27-3)14-24(21)13-15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3,(H,22,23,25).
What are the key properties of 1-benzyl-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one?
1-benzyl-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one has a molecular weight of 365.43 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2-ethyl-5-methoxyanilino)-5-methoxypyrimidin-4-one is sourced from PubChem (CID 134469215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).