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

C21H19N3O4 — CID 121167835

IUPACethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cc(OCc2ccccc2)ncn1
InChIInChI=1S/C21H19N3O4/c1-2-27-21(26)16-10-6-7-11-17(16)24-20(25)18-12-19(23-14-22-18)28-13-15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3,(H,24,25)
InChIKeySYPJRESWGGUHJW-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.48
Rot. Bonds7

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

ethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate (PubChem CID 121167835) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is ethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
PubChem CID121167835
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Nameethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cc(OCc2ccccc2)ncn1
InChIInChI=1S/C21H19N3O4/c1-2-27-21(26)16-10-6-7-11-17(16)24-20(25)18-12-19(23-14-22-18)28-13-15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3,(H,24,25)
InChIKeySYPJRESWGGUHJW-UHFFFAOYSA-N
XLogP3.48
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.48
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-methoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167291
N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167837
N-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167981
ethyl 2-[[6-(2-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109355963
ethyl 2-[[6-(1-phenylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109347622
ethyl 2-[[6-(pyridin-4-ylmethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109350266
ethyl 2-[[6-[3-(dimethylamino)propylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109344845
N-(3-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167809
N-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167810
methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167799
ethyl 2-[[6-(4-fluoroanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109357982

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate (CID 121167835) is ethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cc(OCc2ccccc2)ncn1.
What is the InChIKey of ethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate?
The InChIKey is SYPJRESWGGUHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-2-27-21(26)16-10-6-7-11-17(16)24-20(25)18-12-19(23-14-22-18)28-13-15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3,(H,24,25).
What are the key properties of ethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate?
ethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate has a molecular weight of 377.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 121167835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).