7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine

C8H8FN3 — CID 67304529

IUPAC7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine
SMILESFCCn1ccc2cncnc21
InChIInChI=1S/C8H8FN3/c9-2-4-12-3-1-7-5-10-6-11-8(7)12/h1,3,5-6H,2,4H2
InChIKeyQHOOWJMPTAIRIH-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.40
Rot. Bonds2

About 7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine

7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine (PubChem CID 67304529) has the molecular formula C8H8FN3 and a molecular weight of 165.17 g/mol. Its IUPAC name is 7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine
PubChem CID67304529
Molecular FormulaC8H8FN3
Molecular Weight165.17 g/mol
Exact Mass165.07
IUPAC Name7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine
SMILESFCCn1ccc2cncnc21
InChIInChI=1S/C8H8FN3/c9-2-4-12-3-1-7-5-10-6-11-8(7)12/h1,3,5-6H,2,4H2
InChIKeyQHOOWJMPTAIRIH-UHFFFAOYSA-N
XLogP1.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine (CID 67304529) is 7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine is FCCn1ccc2cncnc21.
What is the InChIKey of 7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is QHOOWJMPTAIRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3/c9-2-4-12-3-1-7-5-10-6-11-8(7)12/h1,3,5-6H,2,4H2.
What are the key properties of 7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine?
7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 165.17 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 67304529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).