methyl 2-(2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-3-yl)acetate

C10H9N3O4 — CID 176610283

IUPACmethyl 2-(2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-3-yl)acetate
SMILESCOC(=O)Cn1c(=O)[nH]c2ccncc2c1=O
InChIInChI=1S/C10H9N3O4/c1-17-8(14)5-13-9(15)6-4-11-3-2-7(6)12-10(13)16/h2-4H,5H2,1H3,(H,12,16)
InChIKeyBHHKSJHLZLRFEO-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.74
Rot. Bonds2

About methyl 2-(2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-3-yl)acetate

methyl 2-(2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-3-yl)acetate (PubChem CID 176610283) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is methyl 2-(2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-3-yl)acetate
PubChem CID176610283
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Namemethyl 2-(2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-3-yl)acetate
SMILESCOC(=O)Cn1c(=O)[nH]c2ccncc2c1=O
InChIInChI=1S/C10H9N3O4/c1-17-8(14)5-13-9(15)6-4-11-3-2-7(6)12-10(13)16/h2-4H,5H2,1H3,(H,12,16)
InChIKeyBHHKSJHLZLRFEO-UHFFFAOYSA-N
XLogP-0.74
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)acetate
CID 69181166
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide
CID 4906968
(2-methoxyphenyl) 2-(2,4-dioxo-1H-quinazolin-3-yl)acetate
CID 51114624
tert-butyl 2-(5-chloro-2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-3-yl)acetate
CID 86641480
ethyl 2-(2,4-dioxo-1H-pyrido[3,2-d]pyrimidin-3-yl)acetate
CID 139690765
2-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]oxyethyl-diethyl-methylazanium iodide
CID 18527687
methyl 2-[3-(2-methoxy-2-oxoethyl)-2,4-dioxoquinazolin-1-yl]acetate
CID 1265260
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 4975182
N-(2-amino-2-methylpropyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119629138
1-pyrazin-2-ylethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 154749732
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
methyl 2-(3-acetylpyrazolo[5,4-c]pyridin-1-yl)acetate
CID 118323423

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-3-yl)acetate?
The IUPAC name of methyl 2-(2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-3-yl)acetate (CID 176610283) is methyl 2-(2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-3-yl)acetate.
What is the SMILES notation for methyl 2-(2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-3-yl)acetate?
The canonical SMILES for methyl 2-(2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-3-yl)acetate is COC(=O)Cn1c(=O)[nH]c2ccncc2c1=O.
What is the InChIKey of methyl 2-(2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-3-yl)acetate?
The InChIKey is BHHKSJHLZLRFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-17-8(14)5-13-9(15)6-4-11-3-2-7(6)12-10(13)16/h2-4H,5H2,1H3,(H,12,16).
What are the key properties of methyl 2-(2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-3-yl)acetate?
methyl 2-(2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-3-yl)acetate has a molecular weight of 235.20 g/mol, XLogP of -0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dioxo-1H-pyrido[4,3-d]pyrimidin-3-yl)acetate is sourced from PubChem (CID 176610283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).