diethyl 7-methylpyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate

C13H15N3O4 — CID 131864954

IUPACdiethyl 7-methylpyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate
SMILESCCOC(=O)c1nc(C(=O)OCC)c2ccn(C)c2n1
InChIInChI=1S/C13H15N3O4/c1-4-19-12(17)9-8-6-7-16(3)11(8)15-10(14-9)13(18)20-5-2/h6-7H,4-5H2,1-3H3
InChIKeyROKMRGOOPVOGDU-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.32
Rot. Bonds4

About diethyl 7-methylpyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate

diethyl 7-methylpyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate (PubChem CID 131864954) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is diethyl 7-methylpyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 7-methylpyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate
PubChem CID131864954
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Namediethyl 7-methylpyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate
SMILESCCOC(=O)c1nc(C(=O)OCC)c2ccn(C)c2n1
InChIInChI=1S/C13H15N3O4/c1-4-19-12(17)9-8-6-7-16(3)11(8)15-10(14-9)13(18)20-5-2/h6-7H,4-5H2,1-3H3
InChIKeyROKMRGOOPVOGDU-UHFFFAOYSA-N
XLogP1.32
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-chloro-1,6-dimethylpyrrolo[2,3-b]pyridine-5-carboxylate
CID 135395277
ethyl 4-chloro-1-methylpyrazolo[5,4-d]pyrimidine-6-carboxylate
CID 86624427
ethyl 3-chloro-5-[(1-methylindol-4-yl)amino]-1,2,4-triazine-6-carboxylate
CID 90308765
ethyl 2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate;2-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-7-methylpyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 159310904
ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 600067
ethyl 1,5-dimethylimidazole-4-carboxylate
CID 13143714
diethyl 7-benzyl-5-cyanopyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate
CID 11036225
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 1-methylpyrrole-3-carboxylate;hydrochloride
CID 141408299
ethyl 5-(2,5-dimethylpyrrol-1-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 166058595
ethyl 4,6-diphenyl-1,3,5-triazine-2-carboxylate
CID 555559
diethyl 5H-indeno[1,2-d]pyrimidine-2,4-dicarboxylate
CID 132573936

Frequently Asked Questions

What is the IUPAC name of diethyl 7-methylpyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate?
The IUPAC name of diethyl 7-methylpyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate (CID 131864954) is diethyl 7-methylpyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate.
What is the SMILES notation for diethyl 7-methylpyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate?
The canonical SMILES for diethyl 7-methylpyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate is CCOC(=O)c1nc(C(=O)OCC)c2ccn(C)c2n1.
What is the InChIKey of diethyl 7-methylpyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate?
The InChIKey is ROKMRGOOPVOGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-4-19-12(17)9-8-6-7-16(3)11(8)15-10(14-9)13(18)20-5-2/h6-7H,4-5H2,1-3H3.
What are the key properties of diethyl 7-methylpyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate?
diethyl 7-methylpyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate has a molecular weight of 277.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 7-methylpyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate is sourced from PubChem (CID 131864954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).