methyl 2-amino-4,7-dioxo-3,8-dihydropyrido[2,3-d]pyrimidine-5-carboxylate

C9H8N4O4 — CID 137175895

IUPACmethyl 2-amino-4,7-dioxo-3,8-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(=O)[nH]c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C9H8N4O4/c1-17-8(16)3-2-4(14)11-6-5(3)7(15)13-9(10)12-6/h2H,1H3,(H4,10,11,12,13,14,15)
InChIKeyWIFWNCSMEXCBGI-UHFFFAOYSA-N
MW236.19 g/mol
LogP-1.02
Rot. Bonds1

About methyl 2-amino-4,7-dioxo-3,8-dihydropyrido[2,3-d]pyrimidine-5-carboxylate

methyl 2-amino-4,7-dioxo-3,8-dihydropyrido[2,3-d]pyrimidine-5-carboxylate (PubChem CID 137175895) has the molecular formula C9H8N4O4 and a molecular weight of 236.19 g/mol. Its IUPAC name is methyl 2-amino-4,7-dioxo-3,8-dihydropyrido[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4,7-dioxo-3,8-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
PubChem CID137175895
Molecular FormulaC9H8N4O4
Molecular Weight236.19 g/mol
Exact Mass236.05
IUPAC Namemethyl 2-amino-4,7-dioxo-3,8-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
SMILESCOC(=O)c1cc(=O)[nH]c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C9H8N4O4/c1-17-8(16)3-2-4(14)11-6-5(3)7(15)13-9(10)12-6/h2H,1H3,(H4,10,11,12,13,14,15)
InChIKeyWIFWNCSMEXCBGI-UHFFFAOYSA-N
XLogP-1.02
TPSA130.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 2-amino-4,7-dioxo-3,8-dihydropyrido[2,3-d]pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4,7-dioxo-3,8-dihydropyrido[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of methyl 2-amino-4,7-dioxo-3,8-dihydropyrido[2,3-d]pyrimidine-5-carboxylate (CID 137175895) is methyl 2-amino-4,7-dioxo-3,8-dihydropyrido[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4,7-dioxo-3,8-dihydropyrido[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-amino-4,7-dioxo-3,8-dihydropyrido[2,3-d]pyrimidine-5-carboxylate is COC(=O)c1cc(=O)[nH]c2nc(N)[nH]c(=O)c12.
What is the InChIKey of methyl 2-amino-4,7-dioxo-3,8-dihydropyrido[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is WIFWNCSMEXCBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O4/c1-17-8(16)3-2-4(14)11-6-5(3)7(15)13-9(10)12-6/h2H,1H3,(H4,10,11,12,13,14,15).
What are the key properties of methyl 2-amino-4,7-dioxo-3,8-dihydropyrido[2,3-d]pyrimidine-5-carboxylate?
methyl 2-amino-4,7-dioxo-3,8-dihydropyrido[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 236.19 g/mol, XLogP of -1.02, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4,7-dioxo-3,8-dihydropyrido[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 137175895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).