1-benzyl-5-methoxy-2-(2-methyl-5-morpholin-4-ylanilino)pyrimidin-4-one

C23H26N4O3 — CID 134290724

IUPAC1-benzyl-5-methoxy-2-(2-methyl-5-morpholin-4-ylanilino)pyrimidin-4-one
SMILESCOc1cn(Cc2ccccc2)c(Nc2cc(N3CCOCC3)ccc2C)nc1=O
InChIInChI=1S/C23H26N4O3/c1-17-8-9-19(26-10-12-30-13-11-26)14-20(17)24-23-25-22(28)21(29-2)16-27(23)15-18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,25,28)
InChIKeyWTVQOVGJQOPJTO-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.19
Rot. Bonds6

About 1-benzyl-5-methoxy-2-(2-methyl-5-morpholin-4-ylanilino)pyrimidin-4-one

1-benzyl-5-methoxy-2-(2-methyl-5-morpholin-4-ylanilino)pyrimidin-4-one (PubChem CID 134290724) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-benzyl-5-methoxy-2-(2-methyl-5-morpholin-4-ylanilino)pyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-5-methoxy-2-(2-methyl-5-morpholin-4-ylanilino)pyrimidin-4-one
PubChem CID134290724
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-benzyl-5-methoxy-2-(2-methyl-5-morpholin-4-ylanilino)pyrimidin-4-one
SMILESCOc1cn(Cc2ccccc2)c(Nc2cc(N3CCOCC3)ccc2C)nc1=O
InChIInChI=1S/C23H26N4O3/c1-17-8-9-19(26-10-12-30-13-11-26)14-20(17)24-23-25-22(28)21(29-2)16-27(23)15-18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,25,28)
InChIKeyWTVQOVGJQOPJTO-UHFFFAOYSA-N
XLogP3.19
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-Ethylanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290260
1-Benzyl-2-(3-fluoro-2-methylanilino)-5-methoxypyrimidin-4-one
CID 134290315
1-Benzyl-2-(4,5-difluoro-2-methylanilino)-5-methoxypyrimidin-4-one
CID 134290394
2-(4-Fluoro-2,5-dimethylanilino)-1-[(3-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290438
1-[(3,5-Difluorophenyl)methyl]-2-(2,4-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290451
1-[(3-Chloro-4-fluorophenyl)methyl]-2-[3-(dimethylamino)-2-methylanilino]-5-methoxypyrimidin-4-one
CID 134290460
2-(2,5-Dimethylanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290463
1-Benzyl-2-(2-ethyl-5-fluoroanilino)-5-methoxypyrimidin-4-one
CID 134290493
1-[(3,4-Difluorophenyl)methyl]-2-(2,5-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290502
1-[(3,5-Difluorophenyl)methyl]-5-methoxy-2-(2-methyl-4-morpholin-4-ylanilino)pyrimidin-4-one
CID 134290565
2-(2-Ethyl-5-fluoroanilino)-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290568
2-(2,5-Dimethylanilino)-5-methoxy-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134290592

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methoxy-2-(2-methyl-5-morpholin-4-ylanilino)pyrimidin-4-one?
The IUPAC name of 1-benzyl-5-methoxy-2-(2-methyl-5-morpholin-4-ylanilino)pyrimidin-4-one (CID 134290724) is 1-benzyl-5-methoxy-2-(2-methyl-5-morpholin-4-ylanilino)pyrimidin-4-one.
What is the SMILES notation for 1-benzyl-5-methoxy-2-(2-methyl-5-morpholin-4-ylanilino)pyrimidin-4-one?
The canonical SMILES for 1-benzyl-5-methoxy-2-(2-methyl-5-morpholin-4-ylanilino)pyrimidin-4-one is COc1cn(Cc2ccccc2)c(Nc2cc(N3CCOCC3)ccc2C)nc1=O.
What is the InChIKey of 1-benzyl-5-methoxy-2-(2-methyl-5-morpholin-4-ylanilino)pyrimidin-4-one?
The InChIKey is WTVQOVGJQOPJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-17-8-9-19(26-10-12-30-13-11-26)14-20(17)24-23-25-22(28)21(29-2)16-27(23)15-18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,25,28).
What are the key properties of 1-benzyl-5-methoxy-2-(2-methyl-5-morpholin-4-ylanilino)pyrimidin-4-one?
1-benzyl-5-methoxy-2-(2-methyl-5-morpholin-4-ylanilino)pyrimidin-4-one has a molecular weight of 406.49 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methoxy-2-(2-methyl-5-morpholin-4-ylanilino)pyrimidin-4-one is sourced from PubChem (CID 134290724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).