methyl 2-[[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]benzoate

C21H19N3O4 — CID 108742520

IUPACmethyl 2-[[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1ccc(Oc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C21H19N3O4/c1-13-12-14(2)23-21(22-13)28-16-10-8-15(9-11-16)24-19(25)17-6-4-5-7-18(17)20(26)27-3/h4-12H,1-3H3,(H,24,25)
InChIKeyBDGBAQUWRJIQAB-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.92
Rot. Bonds5

About methyl 2-[[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]benzoate

methyl 2-[[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]benzoate (PubChem CID 108742520) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is methyl 2-[[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]benzoate
PubChem CID108742520
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Namemethyl 2-[[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1ccc(Oc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C21H19N3O4/c1-13-12-14(2)23-21(22-13)28-16-10-8-15(9-11-16)24-19(25)17-6-4-5-7-18(17)20(26)27-3/h4-12H,1-3H3,(H,24,25)
InChIKeyBDGBAQUWRJIQAB-UHFFFAOYSA-N
XLogP3.92
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate
CID 108742490
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2,5-difluorobenzamide
CID 108742551
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-methoxyacetamide
CID 108742534
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-oxo-4-phenylbutanamide
CID 108742508
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108764948
methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate
CID 108727336
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
dimethyl 4-[4-(1-benzofuran-2-carbonylamino)phenoxy]benzene-1,2-dicarboxylate
CID 17360430
2-(2,3-dimethylphenoxy)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide
CID 108764985
2-methyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862622
N-(4-methoxyphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513637
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]benzoate?
The IUPAC name of methyl 2-[[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]benzoate (CID 108742520) is methyl 2-[[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 2-[[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 2-[[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]benzoate is COC(=O)c1ccccc1C(=O)Nc1ccc(Oc2nc(C)cc(C)n2)cc1.
What is the InChIKey of methyl 2-[[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]benzoate?
The InChIKey is BDGBAQUWRJIQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-13-12-14(2)23-21(22-13)28-16-10-8-15(9-11-16)24-19(25)17-6-4-5-7-18(17)20(26)27-3/h4-12H,1-3H3,(H,24,25).
What are the key properties of methyl 2-[[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]benzoate?
methyl 2-[[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]benzoate has a molecular weight of 377.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]benzoate is sourced from PubChem (CID 108742520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).