3-methylimidazo[2,1-f]purine

C8H7N5 — CID 10821088

IUPAC3-methylimidazo[2,1-f]purine
SMILESCn1cnc2c1ncn1ccnc21
InChIInChI=1S/C8H7N5/c1-12-4-10-6-7(12)11-5-13-3-2-9-8(6)13/h2-5H,1H3
InChIKeyOMPOPGSMAWCHBX-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.62
Rot. Bonds

About 3-methylimidazo[2,1-f]purine

3-methylimidazo[2,1-f]purine (PubChem CID 10821088) has the molecular formula C8H7N5 and a molecular weight of 173.18 g/mol. Its IUPAC name is 3-methylimidazo[2,1-f]purine.

Molecular Properties

Compound Name3-methylimidazo[2,1-f]purine
PubChem CID10821088
Molecular FormulaC8H7N5
Molecular Weight173.18 g/mol
Exact Mass173.07
IUPAC Name3-methylimidazo[2,1-f]purine
SMILESCn1cnc2c1ncn1ccnc21
InChIInChI=1S/C8H7N5/c1-12-4-10-6-7(12)11-5-13-3-2-9-8(6)13/h2-5H,1H3
InChIKeyOMPOPGSMAWCHBX-UHFFFAOYSA-N
XLogP0.62
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methylimidazo[2,1-f]purine?
The IUPAC name of 3-methylimidazo[2,1-f]purine (CID 10821088) is 3-methylimidazo[2,1-f]purine.
What is the SMILES notation for 3-methylimidazo[2,1-f]purine?
The canonical SMILES for 3-methylimidazo[2,1-f]purine is Cn1cnc2c1ncn1ccnc21.
What is the InChIKey of 3-methylimidazo[2,1-f]purine?
The InChIKey is OMPOPGSMAWCHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5/c1-12-4-10-6-7(12)11-5-13-3-2-9-8(6)13/h2-5H,1H3.
What are the key properties of 3-methylimidazo[2,1-f]purine?
3-methylimidazo[2,1-f]purine has a molecular weight of 173.18 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimidazo[2,1-f]purine is sourced from PubChem (CID 10821088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).