7-ethylpyrrolo[2,3-d]pyrimidine

C8H9N3 — CID 69299985

IUPAC7-ethylpyrrolo[2,3-d]pyrimidine
SMILESCCn1ccc2cncnc21
InChIInChI=1S/C8H9N3/c1-2-11-4-3-7-5-9-6-10-8(7)11/h3-6H,2H2,1H3
InChIKeyNXULHXNPUGWUGV-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.45
Rot. Bonds1

About 7-ethylpyrrolo[2,3-d]pyrimidine

7-ethylpyrrolo[2,3-d]pyrimidine (PubChem CID 69299985) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 7-ethylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-ethylpyrrolo[2,3-d]pyrimidine
PubChem CID69299985
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name7-ethylpyrrolo[2,3-d]pyrimidine
SMILESCCn1ccc2cncnc21
InChIInChI=1S/C8H9N3/c1-2-11-4-3-7-5-9-6-10-8(7)11/h3-6H,2H2,1H3
InChIKeyNXULHXNPUGWUGV-UHFFFAOYSA-N
XLogP1.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-ethylpyrrolo[2,3-d]pyrimidine (CID 69299985) is 7-ethylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-ethylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-ethylpyrrolo[2,3-d]pyrimidine is CCn1ccc2cncnc21.
What is the InChIKey of 7-ethylpyrrolo[2,3-d]pyrimidine?
The InChIKey is NXULHXNPUGWUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-2-11-4-3-7-5-9-6-10-8(7)11/h3-6H,2H2,1H3.
What are the key properties of 7-ethylpyrrolo[2,3-d]pyrimidine?
7-ethylpyrrolo[2,3-d]pyrimidine has a molecular weight of 147.18 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 69299985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).