[2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-acetamidobenzoate

C15H14N4O4 — CID 6487259

IUPAC[2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ncccn1
InChIInChI=1S/C15H14N4O4/c1-10(20)18-12-6-3-2-5-11(12)14(22)23-9-13(21)19-15-16-7-4-8-17-15/h2-8H,9H2,1H3,(H,18,20)(H,16,17,19,21)
InChIKeyXDSRHFYJBYGPBL-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.23
Rot. Bonds5

About [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-acetamidobenzoate

[2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-acetamidobenzoate (PubChem CID 6487259) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-acetamidobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-acetamidobenzoate
PubChem CID6487259
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name[2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-acetamidobenzoate
SMILESCC(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ncccn1
InChIInChI=1S/C15H14N4O4/c1-10(20)18-12-6-3-2-5-11(12)14(22)23-9-13(21)19-15-16-7-4-8-17-15/h2-8H,9H2,1H3,(H,18,20)(H,16,17,19,21)
InChIKeyXDSRHFYJBYGPBL-UHFFFAOYSA-N
XLogP1.23
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-Butan-2-yloxypyrimidin-4-yl)amino]benzoic acid
CID 44427133
Anthranilic acid, N-(6-(2-aminopyrimidinyl))-
CID 35750
Nevirapin 2,4-Disubstituted deriv. 12b
CID 464563
2-{[2-(Cyclohexylmethoxy)pyrimidin-4-yl]amino}benzoic acid
CID 23647244
N4-(2-carboxyphenyl)-N2-(4-morpholinophenyl)pyrimidine-2,4-diamine
CID 23647263
2-[(2-butoxypyrimidin-4-yl)amino]benzoic Acid
CID 1897784
2-[(2-Propoxypyrimidin-4-yl)amino]benzoic acid
CID 23647240
2-{[2-(Pentyloxy)pyrimidin-4-yl]amino}benzoic acid
CID 23647241
2-{[2-(Butylamino)pyrimidin-4-yl]amino}benzoic acid
CID 23647246
[2-Oxo-2-(pyrimidin-2-ylamino)ethyl] 2,4-difluorobenzoate
CID 2418131
[2-(Carbamoylamino)-2-oxoethyl] 2-(2-fluoroanilino)pyridine-3-carboxylate
CID 2531853
3-[(2-Methoxy-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carbonyl)-amino]-4-methyl-benzoic acid methyl ester
CID 57524820

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-acetamidobenzoate?
The IUPAC name of [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-acetamidobenzoate (CID 6487259) is [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-acetamidobenzoate.
What is the SMILES notation for [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-acetamidobenzoate?
The canonical SMILES for [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-acetamidobenzoate is CC(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ncccn1.
What is the InChIKey of [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-acetamidobenzoate?
The InChIKey is XDSRHFYJBYGPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-10(20)18-12-6-3-2-5-11(12)14(22)23-9-13(21)19-15-16-7-4-8-17-15/h2-8H,9H2,1H3,(H,18,20)(H,16,17,19,21).
What are the key properties of [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-acetamidobenzoate?
[2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-acetamidobenzoate has a molecular weight of 314.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-acetamidobenzoate is sourced from PubChem (CID 6487259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).