3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide

C20H20N4O3 — CID 134290313

IUPAC3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide
SMILESCOc1cn(Cc2ccccc2)c(Nc2cc(C(N)=O)ccc2C)nc1=O
InChIInChI=1S/C20H20N4O3/c1-13-8-9-15(18(21)25)10-16(13)22-20-23-19(26)17(27-2)12-24(20)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H2,21,25)(H,22,23,26)
InChIKeyBSYPSSKGAXIYAU-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.45
Rot. Bonds6

About 3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide

3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide (PubChem CID 134290313) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide.

Molecular Properties

Compound Name3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide
PubChem CID134290313
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide
SMILESCOc1cn(Cc2ccccc2)c(Nc2cc(C(N)=O)ccc2C)nc1=O
InChIInChI=1S/C20H20N4O3/c1-13-8-9-15(18(21)25)10-16(13)22-20-23-19(26)17(27-2)12-24(20)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H2,21,25)(H,22,23,26)
InChIKeyBSYPSSKGAXIYAU-UHFFFAOYSA-N
XLogP2.45
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-benzyl-5-methoxy-2-[2-methyl-5-(1,3-oxazol-2-yl)anilino]pyrimidin-4-one
CID 134290429
1-benzyl-2-(2-fluoro-3-methylanilino)-5-methoxypyrimidin-4-one
CID 134291629
1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one
CID 134290688
1-benzyl-2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-5-methoxypyrimidin-4-one
CID 134291364
1-benzyl-5-methoxy-2-(2-phenoxyanilino)pyrimidin-4-one
CID 134290299
1-benzyl-2-[2-(fluoromethyl)anilino]-5-methoxypyrimidin-4-one
CID 134290987
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
5-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-1-methylquinolin-2-one
CID 134291388
1-[(4-fluoro-3-methylphenyl)methyl]-5-methoxy-2-(5-methoxy-2-methylanilino)pyrimidin-4-one
CID 134464278

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide?
The IUPAC name of 3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide (CID 134290313) is 3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide.
What is the SMILES notation for 3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide?
The canonical SMILES for 3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide is COc1cn(Cc2ccccc2)c(Nc2cc(C(N)=O)ccc2C)nc1=O.
What is the InChIKey of 3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide?
The InChIKey is BSYPSSKGAXIYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-8-9-15(18(21)25)10-16(13)22-20-23-19(26)17(27-2)12-24(20)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H2,21,25)(H,22,23,26).
What are the key properties of 3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide?
3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide has a molecular weight of 364.41 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide is sourced from PubChem (CID 134290313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).