diethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate

C12H15N3O4 — CID 10355484

IUPACdiethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate
SMILESCCOC(=O)c1nc2c(c(C(=O)OCC)n1)CCN2
InChIInChI=1S/C12H15N3O4/c1-3-18-11(16)8-7-5-6-13-9(7)15-10(14-8)12(17)19-4-2/h3-6H2,1-2H3,(H,13,14,15)
InChIKeyFQRJBYQLVDTJGD-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.80
Rot. Bonds4

About diethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate

diethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate (PubChem CID 10355484) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is diethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate
PubChem CID10355484
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Namediethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate
SMILESCCOC(=O)c1nc2c(c(C(=O)OCC)n1)CCN2
InChIInChI=1S/C12H15N3O4/c1-3-18-11(16)8-7-5-6-13-9(7)15-10(14-8)12(17)19-4-2/h3-6H2,1-2H3,(H,13,14,15)
InChIKeyFQRJBYQLVDTJGD-UHFFFAOYSA-N
XLogP0.80
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze diethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 21056777
ethyl 2-(diethylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738064
diethyl 5H-indeno[1,2-d]pyrimidine-2,4-dicarboxylate
CID 132573936
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 6-methyl-7-oxo-2,3-dihydro-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 134863844
ethyl 5-amino-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
CID 23005640
diethyl 5-propyl-1,2,4-triazine-3,6-dicarboxylate
CID 102379589
ethyl 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738097
ethyl 2-butan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738102
ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-3-carboxylate
CID 84666770
ethyl 2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738081
4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate
CID 10445251

Frequently Asked Questions

What is the IUPAC name of diethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate?
The IUPAC name of diethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate (CID 10355484) is diethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate.
What is the SMILES notation for diethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate?
The canonical SMILES for diethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate is CCOC(=O)c1nc2c(c(C(=O)OCC)n1)CCN2.
What is the InChIKey of diethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate?
The InChIKey is FQRJBYQLVDTJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-3-18-11(16)8-7-5-6-13-9(7)15-10(14-8)12(17)19-4-2/h3-6H2,1-2H3,(H,13,14,15).
What are the key properties of diethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate?
diethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate has a molecular weight of 265.27 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate is sourced from PubChem (CID 10355484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).