4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine

C8H8ClN3 — CID 66523125

IUPAC4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1c[nH]c2ncnc(Cl)c12
InChIInChI=1S/C8H8ClN3/c1-2-5-3-10-8-6(5)7(9)11-4-12-8/h3-4H,2H2,1H3,(H,10,11,12)
InChIKeyHXTUOLGGMWNTJZ-UHFFFAOYSA-N
MW181.63 g/mol
LogP2.17
Rot. Bonds1

About 4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine

4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 66523125) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID66523125
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1c[nH]c2ncnc(Cl)c12
InChIInChI=1S/C8H8ClN3/c1-2-5-3-10-8-6(5)7(9)11-4-12-8/h3-4H,2H2,1H3,(H,10,11,12)
InChIKeyHXTUOLGGMWNTJZ-UHFFFAOYSA-N
XLogP2.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine 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 4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine (CID 66523125) is 4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine is CCc1c[nH]c2ncnc(Cl)c12.
What is the InChIKey of 4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is HXTUOLGGMWNTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c1-2-5-3-10-8-6(5)7(9)11-4-12-8/h3-4H,2H2,1H3,(H,10,11,12).
What are the key properties of 4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine?
4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 181.63 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 66523125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).