ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]benzoate

C15H15N3O4 — CID 121167291

IUPACethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cc(OC)ncn1
InChIInChI=1S/C15H15N3O4/c1-3-22-15(20)10-6-4-5-7-11(10)18-14(19)12-8-13(21-2)17-9-16-12/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyUNDWUAPRXKYHRK-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.91
Rot. Bonds5

About ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]benzoate

ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]benzoate (PubChem CID 121167291) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]benzoate
PubChem CID121167291
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Nameethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cc(OC)ncn1
InChIInChI=1S/C15H15N3O4/c1-3-22-15(20)10-6-4-5-7-11(10)18-14(19)12-8-13(21-2)17-9-16-12/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyUNDWUAPRXKYHRK-UHFFFAOYSA-N
XLogP1.91
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(6-ethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167557
ethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167835
6-methoxy-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 121167294
ethyl 2-[[6-(2-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109355963
ethyl 2-[[6-[3-(dimethylamino)propylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109344845
ethyl 2-[[6-(4-fluoroanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109357982
ethyl 2-[[6-(1-phenylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109347622
ethyl 2-[[6-[(3,5-dimethylphenyl)carbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109357072
ethyl 2-[[6-(pyridin-4-ylmethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109350266
6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide
CID 121167320
ethyl 2-[[6-(4-cyanoanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109359913
ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 121167340

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]benzoate (CID 121167291) is ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cc(OC)ncn1.
What is the InChIKey of ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]benzoate?
The InChIKey is UNDWUAPRXKYHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-3-22-15(20)10-6-4-5-7-11(10)18-14(19)12-8-13(21-2)17-9-16-12/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]benzoate?
ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]benzoate has a molecular weight of 301.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 121167291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).