1-benzyl-5-methyl-6-oxo-4-phenylmethoxypyrimidine-2-carboxamide;ethane

C24H31N3O3 — CID 91424433

IUPAC1-benzyl-5-methyl-6-oxo-4-phenylmethoxypyrimidine-2-carboxamide;ethane
SMILESCC.CC.Cc1c(OCc2ccccc2)nc(C(N)=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H19N3O3.2C2H6/c1-14-19(26-13-16-10-6-3-7-11-16)22-18(17(21)24)23(20(14)25)12-15-8-4-2-5-9-15;2*1-2/h2-11H,12-13H2,1H3,(H2,21,24);2*1-2H3
InChIKeyUYEZMSZWMANESN-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.33
Rot. Bonds6

About 1-benzyl-5-methyl-6-oxo-4-phenylmethoxypyrimidine-2-carboxamide;ethane

1-benzyl-5-methyl-6-oxo-4-phenylmethoxypyrimidine-2-carboxamide;ethane (PubChem CID 91424433) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-benzyl-5-methyl-6-oxo-4-phenylmethoxypyrimidine-2-carboxamide;ethane.

Molecular Properties

Compound Name1-benzyl-5-methyl-6-oxo-4-phenylmethoxypyrimidine-2-carboxamide;ethane
PubChem CID91424433
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name1-benzyl-5-methyl-6-oxo-4-phenylmethoxypyrimidine-2-carboxamide;ethane
SMILESCC.CC.Cc1c(OCc2ccccc2)nc(C(N)=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H19N3O3.2C2H6/c1-14-19(26-13-16-10-6-3-7-11-16)22-18(17(21)24)23(20(14)25)12-15-8-4-2-5-9-15;2*1-2/h2-11H,12-13H2,1H3,(H2,21,24);2*1-2H3
InChIKeyUYEZMSZWMANESN-UHFFFAOYSA-N
XLogP4.33
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (E)-2-(acetyloxymethyl)-4-[6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]but-2-enoate
CID 10435716
3-[[2-(Aminomethyl)phenyl]methyl]-5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21089151
3-[[3-(Aminomethyl)phenyl]methyl]-5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21089177
3-(2-Amino-1-phenylethyl)-5-bromo-6-[(2,4-difluorophenyl)methoxy]pyrimidin-4-one
CID 21089178
6-[(4-Fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-iodopyrimidin-4-one
CID 21089188
6-[(4-Fluorophenyl)methoxy]-3-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-one
CID 21089189
3-[[4-(Aminomethyl)phenyl]methyl]-5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21089209
6-[(4-Fluorophenyl)methoxy]-3-[(4-fluorophenyl)methyl]pyrimidin-4-one
CID 21089220
3-Benzyl-5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one
CID 21089335
3-Cyclohexyl-6-[(2,4-difluorophenyl)methoxy]-2,5-dimethylpyrimidin-4-one
CID 21089381
4-[(2,4-Difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-6-oxopyrimidine-5-carbonitrile
CID 21089383
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[4-(methylaminomethyl)phenyl]methyl]pyrimidin-4-one
CID 21089670

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-methyl-6-oxo-4-phenylmethoxypyrimidine-2-carboxamide;ethane?
The IUPAC name of 1-benzyl-5-methyl-6-oxo-4-phenylmethoxypyrimidine-2-carboxamide;ethane (CID 91424433) is 1-benzyl-5-methyl-6-oxo-4-phenylmethoxypyrimidine-2-carboxamide;ethane.
What is the SMILES notation for 1-benzyl-5-methyl-6-oxo-4-phenylmethoxypyrimidine-2-carboxamide;ethane?
The canonical SMILES for 1-benzyl-5-methyl-6-oxo-4-phenylmethoxypyrimidine-2-carboxamide;ethane is CC.CC.Cc1c(OCc2ccccc2)nc(C(N)=O)n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-5-methyl-6-oxo-4-phenylmethoxypyrimidine-2-carboxamide;ethane?
The InChIKey is UYEZMSZWMANESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3.2C2H6/c1-14-19(26-13-16-10-6-3-7-11-16)22-18(17(21)24)23(20(14)25)12-15-8-4-2-5-9-15;2*1-2/h2-11H,12-13H2,1H3,(H2,21,24);2*1-2H3.
What are the key properties of 1-benzyl-5-methyl-6-oxo-4-phenylmethoxypyrimidine-2-carboxamide;ethane?
1-benzyl-5-methyl-6-oxo-4-phenylmethoxypyrimidine-2-carboxamide;ethane has a molecular weight of 409.53 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-methyl-6-oxo-4-phenylmethoxypyrimidine-2-carboxamide;ethane is sourced from PubChem (CID 91424433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).