diethyl 5H-indeno[1,2-d]pyrimidine-2,4-dicarboxylate

C17H16N2O4 — CID 132573936

IUPACdiethyl 5H-indeno[1,2-d]pyrimidine-2,4-dicarboxylate
SMILESCCOC(=O)c1nc(C(=O)OCC)c2c(n1)-c1ccccc1C2
InChIInChI=1S/C17H16N2O4/c1-3-22-16(20)14-12-9-10-7-5-6-8-11(10)13(12)18-15(19-14)17(21)23-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyCUUFXUCTYOROHN-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.40
Rot. Bonds4

About diethyl 5H-indeno[1,2-d]pyrimidine-2,4-dicarboxylate

diethyl 5H-indeno[1,2-d]pyrimidine-2,4-dicarboxylate (PubChem CID 132573936) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is diethyl 5H-indeno[1,2-d]pyrimidine-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 5H-indeno[1,2-d]pyrimidine-2,4-dicarboxylate
PubChem CID132573936
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Namediethyl 5H-indeno[1,2-d]pyrimidine-2,4-dicarboxylate
SMILESCCOC(=O)c1nc(C(=O)OCC)c2c(n1)-c1ccccc1C2
InChIInChI=1S/C17H16N2O4/c1-3-22-16(20)14-12-9-10-7-5-6-8-11(10)13(12)18-15(19-14)17(21)23-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyCUUFXUCTYOROHN-UHFFFAOYSA-N
XLogP2.40
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-oxo-2,5-dihydroindeno[1,2-c]pyridazine-4-carboxylate
CID 10848653
ethyl 3-methyl-1,4-dihydroindeno[1,2-b]pyrrole-2-carboxylate
CID 10105747
ethyl 1,4-dihydroindeno[1,2-b]pyrrole-3-carboxylate
CID 69442216
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559
diethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate
CID 10355484
ethyl 5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-4-carboxylate
CID 61385445
ethyl 2-[(E)-hydroxy-(3-oxo-1H-inden-2-ylidene)methyl]benzoate
CID 15415722
ethyl 3,4-diazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaene-5-carboxylate
CID 164806552
3,4-dimethoxy-5H-indeno[1,2-b]pyridin-2-amine
CID 67354604
5-chloro-11H-indeno[1,2-c]isoquinoline
CID 22290968
ethyl 13-amino-11-(furan-2-yl)-15-thia-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12(16),13-heptaene-14-carboxylate
CID 1049198
ethyl 5-(2-chlorophenyl)-2H-triazole-4-carboxylate
CID 118989014

Frequently Asked Questions

What is the IUPAC name of diethyl 5H-indeno[1,2-d]pyrimidine-2,4-dicarboxylate?
The IUPAC name of diethyl 5H-indeno[1,2-d]pyrimidine-2,4-dicarboxylate (CID 132573936) is diethyl 5H-indeno[1,2-d]pyrimidine-2,4-dicarboxylate.
What is the SMILES notation for diethyl 5H-indeno[1,2-d]pyrimidine-2,4-dicarboxylate?
The canonical SMILES for diethyl 5H-indeno[1,2-d]pyrimidine-2,4-dicarboxylate is CCOC(=O)c1nc(C(=O)OCC)c2c(n1)-c1ccccc1C2.
What is the InChIKey of diethyl 5H-indeno[1,2-d]pyrimidine-2,4-dicarboxylate?
The InChIKey is CUUFXUCTYOROHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-3-22-16(20)14-12-9-10-7-5-6-8-11(10)13(12)18-15(19-14)17(21)23-4-2/h5-8H,3-4,9H2,1-2H3.
What are the key properties of diethyl 5H-indeno[1,2-d]pyrimidine-2,4-dicarboxylate?
diethyl 5H-indeno[1,2-d]pyrimidine-2,4-dicarboxylate has a molecular weight of 312.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5H-indeno[1,2-d]pyrimidine-2,4-dicarboxylate is sourced from PubChem (CID 132573936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).