[2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate

C15H14N4O7 — CID 23938766

IUPAC[2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)c2[nH]c(=O)[nH]c(=O)c2N)cc1
InChIInChI=1S/C15H14N4O7/c1-25-13(22)7-2-4-8(5-3-7)17-9(20)6-26-14(23)11-10(16)12(21)19-15(24)18-11/h2-5H,6,16H2,1H3,(H,17,20)(H2,18,19,21,24)
InChIKeyYOKHVAQIDLAIDL-UHFFFAOYSA-N
MW362.30 g/mol
LogP-0.77
Rot. Bonds5

About [2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate

[2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 23938766) has the molecular formula C15H14N4O7 and a molecular weight of 362.30 g/mol. Its IUPAC name is [2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID23938766
Molecular FormulaC15H14N4O7
Molecular Weight362.30 g/mol
Exact Mass362.09
IUPAC Name[2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)c2[nH]c(=O)[nH]c(=O)c2N)cc1
InChIInChI=1S/C15H14N4O7/c1-25-13(22)7-2-4-8(5-3-7)17-9(20)6-26-14(23)11-10(16)12(21)19-15(24)18-11/h2-5H,6,16H2,1H3,(H,17,20)(H2,18,19,21,24)
InChIKeyYOKHVAQIDLAIDL-UHFFFAOYSA-N
XLogP-0.77
TPSA173.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze [2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate with MolForge

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Related Compounds

[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761895
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 7808357
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7133669
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
methyl 4-[(2-sulfanylacetyl)amino]benzoate
CID 59707367
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 23986669
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7864589
1-O-ethyl 4-O-[2-(4-methoxycarbonylanilino)-2-oxoethyl] (E)-but-2-enedioate
CID 7851825
[2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 1088627
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 3-bromobenzoate
CID 7663305
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate
CID 43036106
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658348

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 23938766) is [2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate is COC(=O)c1ccc(NC(=O)COC(=O)c2[nH]c(=O)[nH]c(=O)c2N)cc1.
What is the InChIKey of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is YOKHVAQIDLAIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O7/c1-25-13(22)7-2-4-8(5-3-7)17-9(20)6-26-14(23)11-10(16)12(21)19-15(24)18-11/h2-5H,6,16H2,1H3,(H,17,20)(H2,18,19,21,24).
What are the key properties of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate?
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 362.30 g/mol, XLogP of -0.77, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 23938766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).