ethyl 7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate

C10H11N3O2 — CID 71299230

IUPACethyl 7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1ncnc2c1ccn2C
InChIInChI=1S/C10H11N3O2/c1-3-15-10(14)8-7-4-5-13(2)9(7)12-6-11-8/h4-6H,3H2,1-2H3
InChIKeyDCXBCKYEFKOSOL-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.14
Rot. Bonds2

About ethyl 7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate

ethyl 7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate (PubChem CID 71299230) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is ethyl 7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate
PubChem CID71299230
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Nameethyl 7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1ncnc2c1ccn2C
InChIInChI=1S/C10H11N3O2/c1-3-15-10(14)8-7-4-5-13(2)9(7)12-6-11-8/h4-6H,3H2,1-2H3
InChIKeyDCXBCKYEFKOSOL-UHFFFAOYSA-N
XLogP1.14
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 7-methylpyrrolo[2,3-d]pyrimidine-4-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 ethyl 7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate?
The IUPAC name of ethyl 7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate (CID 71299230) is ethyl 7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate is CCOC(=O)c1ncnc2c1ccn2C.
What is the InChIKey of ethyl 7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate?
The InChIKey is DCXBCKYEFKOSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-3-15-10(14)8-7-4-5-13(2)9(7)12-6-11-8/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate?
ethyl 7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate has a molecular weight of 205.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methylpyrrolo[2,3-d]pyrimidine-4-carboxylate is sourced from PubChem (CID 71299230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).