methyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate

C20H17N3O4 — CID 155970115

IUPACmethyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cc(-c3ccc(OC)cc3)ncn2)cc1
InChIInChI=1S/C20H17N3O4/c1-26-16-9-7-13(8-10-16)17-11-18(22-12-21-17)23-19(24)14-3-5-15(6-4-14)20(25)27-2/h3-12H,1-2H3,(H,21,22,23,24)
InChIKeyBGFFXBHWTCBQLZ-UHFFFAOYSA-N
MW363.37 g/mol
LogP3.19
Rot. Bonds5

About methyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate

methyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate (PubChem CID 155970115) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is methyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate
PubChem CID155970115
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Namemethyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cc(-c3ccc(OC)cc3)ncn2)cc1
InChIInChI=1S/C20H17N3O4/c1-26-16-9-7-13(8-10-16)17-11-18(22-12-21-17)23-19(24)14-3-5-15(6-4-14)20(25)27-2/h3-12H,1-2H3,(H,21,22,23,24)
InChIKeyBGFFXBHWTCBQLZ-UHFFFAOYSA-N
XLogP3.19
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate with MolForge

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Related Compounds

3-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-1-N-phenylbenzene-1,3-dicarboxamide
CID 166327273
2-(4-methoxyphenoxy)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]acetamide
CID 166327221
3-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327278
3-[methoxy(methyl)sulfamoyl]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327241
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262337
2-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327287
methyl 4-[[6-(4-methoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358901
methyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 90266337
1-(4-fluorophenyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]-5-methyltriazole-4-carboxamide
CID 166327293
2-chloro-5-(diethylsulfamoyl)-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327245
methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 16585566

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate (CID 155970115) is methyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2cc(-c3ccc(OC)cc3)ncn2)cc1.
What is the InChIKey of methyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate?
The InChIKey is BGFFXBHWTCBQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-26-16-9-7-13(8-10-16)17-11-18(22-12-21-17)23-19(24)14-3-5-15(6-4-14)20(25)27-2/h3-12H,1-2H3,(H,21,22,23,24).
What are the key properties of methyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate?
methyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate has a molecular weight of 363.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(4-methoxyphenyl)pyrimidin-4-yl]carbamoyl]benzoate is sourced from PubChem (CID 155970115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).