1-benzyl-5-methoxy-2-(2-phenoxyanilino)pyrimidin-4-one

C24H21N3O3 — CID 134290299

IUPAC1-benzyl-5-methoxy-2-(2-phenoxyanilino)pyrimidin-4-one
SMILESCOc1cn(Cc2ccccc2)c(Nc2ccccc2Oc2ccccc2)nc1=O
InChIInChI=1S/C24H21N3O3/c1-29-22-17-27(16-18-10-4-2-5-11-18)24(26-23(22)28)25-20-14-8-9-15-21(20)30-19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,25,26,28)
InChIKeyWFUFZGDNVPIPQL-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.84
Rot. Bonds7

About 1-benzyl-5-methoxy-2-(2-phenoxyanilino)pyrimidin-4-one

1-benzyl-5-methoxy-2-(2-phenoxyanilino)pyrimidin-4-one (PubChem CID 134290299) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-benzyl-5-methoxy-2-(2-phenoxyanilino)pyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-5-methoxy-2-(2-phenoxyanilino)pyrimidin-4-one
PubChem CID134290299
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name1-benzyl-5-methoxy-2-(2-phenoxyanilino)pyrimidin-4-one
SMILESCOc1cn(Cc2ccccc2)c(Nc2ccccc2Oc2ccccc2)nc1=O
InChIInChI=1S/C24H21N3O3/c1-29-22-17-27(16-18-10-4-2-5-11-18)24(26-23(22)28)25-20-14-8-9-15-21(20)30-19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,25,26,28)
InChIKeyWFUFZGDNVPIPQL-UHFFFAOYSA-N
XLogP4.84
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-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-benzyl-2-[5-(dihydroxyamino)-2-methylanilino]-5-methoxypyrimidin-4-one
CID 158183969
3-[(1-benzyl-5-methoxy-4-oxopyrimidin-2-yl)amino]-4-methylbenzamide
CID 134290313
1-benzyl-5-ethoxy-2-(4-methoxy-2,5-dimethylanilino)pyrimidin-4-one
CID 134290688
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
5-methoxy-2-(2-methylanilino)-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134291142
1-benzyl-2-[(2-fluorocyclohexa-1,3-dien-1-yl)amino]-5-methoxypyrimidin-4-one
CID 134290679
2-(5-chloro-2-ethylanilino)-1-[(3-chlorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290957

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methoxy-2-(2-phenoxyanilino)pyrimidin-4-one?
The IUPAC name of 1-benzyl-5-methoxy-2-(2-phenoxyanilino)pyrimidin-4-one (CID 134290299) is 1-benzyl-5-methoxy-2-(2-phenoxyanilino)pyrimidin-4-one.
What is the SMILES notation for 1-benzyl-5-methoxy-2-(2-phenoxyanilino)pyrimidin-4-one?
The canonical SMILES for 1-benzyl-5-methoxy-2-(2-phenoxyanilino)pyrimidin-4-one is COc1cn(Cc2ccccc2)c(Nc2ccccc2Oc2ccccc2)nc1=O.
What is the InChIKey of 1-benzyl-5-methoxy-2-(2-phenoxyanilino)pyrimidin-4-one?
The InChIKey is WFUFZGDNVPIPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-29-22-17-27(16-18-10-4-2-5-11-18)24(26-23(22)28)25-20-14-8-9-15-21(20)30-19-12-6-3-7-13-19/h2-15,17H,16H2,1H3,(H,25,26,28).
What are the key properties of 1-benzyl-5-methoxy-2-(2-phenoxyanilino)pyrimidin-4-one?
1-benzyl-5-methoxy-2-(2-phenoxyanilino)pyrimidin-4-one has a molecular weight of 399.45 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methoxy-2-(2-phenoxyanilino)pyrimidin-4-one is sourced from PubChem (CID 134290299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).