ethyl 6-amino-2-oxo-1H-pyrimidine-5-carboxylate;ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate

C14H17N5O7 — CID 67784776

IUPACethyl 6-amino-2-oxo-1H-pyrimidine-5-carboxylate;ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c[nH]c(=O)[nH]c1=O.CCOC(=O)c1cnc(=O)[nH]c1N
InChIInChI=1S/C7H9N3O3.C7H8N2O4/c1-2-13-6(11)4-3-9-7(12)10-5(4)8;1-2-13-6(11)4-3-8-7(12)9-5(4)10/h3H,2H2,1H3,(H3,8,9,10,12);3H,2H2,1H3,(H2,8,9,10,12)
InChIKeyKWHDRCWMDMZBQO-UHFFFAOYSA-N
MW367.32 g/mol
LogP-1.23
Rot. Bonds4

About ethyl 6-amino-2-oxo-1H-pyrimidine-5-carboxylate;ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate

ethyl 6-amino-2-oxo-1H-pyrimidine-5-carboxylate;ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate (PubChem CID 67784776) has the molecular formula C14H17N5O7 and a molecular weight of 367.32 g/mol. Its IUPAC name is ethyl 6-amino-2-oxo-1H-pyrimidine-5-carboxylate;ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-2-oxo-1H-pyrimidine-5-carboxylate;ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate
PubChem CID67784776
Molecular FormulaC14H17N5O7
Molecular Weight367.32 g/mol
Exact Mass367.11
IUPAC Nameethyl 6-amino-2-oxo-1H-pyrimidine-5-carboxylate;ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c[nH]c(=O)[nH]c1=O.CCOC(=O)c1cnc(=O)[nH]c1N
InChIInChI=1S/C7H9N3O3.C7H8N2O4/c1-2-13-6(11)4-3-9-7(12)10-5(4)8;1-2-13-6(11)4-3-8-7(12)9-5(4)10/h3H,2H2,1H3,(H3,8,9,10,12);3H,2H2,1H3,(H2,8,9,10,12)
InChIKeyKWHDRCWMDMZBQO-UHFFFAOYSA-N
XLogP-1.23
TPSA190.09 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

hydroxymethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 141245679
ethyl 5-amino-2-oxo-1H-pyrimidine-6-carboxylate
CID 117272940
ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate
CID 12901694
benzyl 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 12848800
ethyl 2-(2-methylpropylsulfanylmethyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 65137342
6-amino-5-(2-methylpropanoyl)-1H-pyrimidin-2-one
CID 82075087
ethyl 2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 89471593
diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
[2-(3,4-dimethylanilino)-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 23933463
(2-oxo-2-piperidin-1-ylethyl) 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 2104794
ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate
CID 168862194
ethyl 2-(4-chloro-2-oxopyrrolidin-1-yl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 168687479

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-2-oxo-1H-pyrimidine-5-carboxylate;ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-amino-2-oxo-1H-pyrimidine-5-carboxylate;ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate (CID 67784776) is ethyl 6-amino-2-oxo-1H-pyrimidine-5-carboxylate;ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-amino-2-oxo-1H-pyrimidine-5-carboxylate;ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-amino-2-oxo-1H-pyrimidine-5-carboxylate;ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1c[nH]c(=O)[nH]c1=O.CCOC(=O)c1cnc(=O)[nH]c1N.
What is the InChIKey of ethyl 6-amino-2-oxo-1H-pyrimidine-5-carboxylate;ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate?
The InChIKey is KWHDRCWMDMZBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3.C7H8N2O4/c1-2-13-6(11)4-3-9-7(12)10-5(4)8;1-2-13-6(11)4-3-8-7(12)9-5(4)10/h3H,2H2,1H3,(H3,8,9,10,12);3H,2H2,1H3,(H2,8,9,10,12).
What are the key properties of ethyl 6-amino-2-oxo-1H-pyrimidine-5-carboxylate;ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate?
ethyl 6-amino-2-oxo-1H-pyrimidine-5-carboxylate;ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate has a molecular weight of 367.32 g/mol, XLogP of -1.23, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-2-oxo-1H-pyrimidine-5-carboxylate;ethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 67784776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).