6-chloro-9-cyclopropyl-8-(furan-2-yl)purine

C12H9ClN4O — CID 101047400

IUPAC6-chloro-9-cyclopropyl-8-(furan-2-yl)purine
SMILESClc1ncnc2c1nc(-c1ccco1)n2C1CC1
InChIInChI=1S/C12H9ClN4O/c13-10-9-12(15-6-14-10)17(7-3-4-7)11(16-9)8-2-1-5-18-8/h1-2,5-7H,3-4H2
InChIKeyNLFBMEKPAZGBJS-UHFFFAOYSA-N
MW260.68 g/mol
LogP3.07
Rot. Bonds2

About 6-chloro-9-cyclopropyl-8-(furan-2-yl)purine

6-chloro-9-cyclopropyl-8-(furan-2-yl)purine (PubChem CID 101047400) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 6-chloro-9-cyclopropyl-8-(furan-2-yl)purine.

Molecular Properties

Compound Name6-chloro-9-cyclopropyl-8-(furan-2-yl)purine
PubChem CID101047400
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name6-chloro-9-cyclopropyl-8-(furan-2-yl)purine
SMILESClc1ncnc2c1nc(-c1ccco1)n2C1CC1
InChIInChI=1S/C12H9ClN4O/c13-10-9-12(15-6-14-10)17(7-3-4-7)11(16-9)8-2-1-5-18-8/h1-2,5-7H,3-4H2
InChIKeyNLFBMEKPAZGBJS-UHFFFAOYSA-N
XLogP3.07
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-cyclopropyl-8-(furan-2-yl)purine?
The IUPAC name of 6-chloro-9-cyclopropyl-8-(furan-2-yl)purine (CID 101047400) is 6-chloro-9-cyclopropyl-8-(furan-2-yl)purine.
What is the SMILES notation for 6-chloro-9-cyclopropyl-8-(furan-2-yl)purine?
The canonical SMILES for 6-chloro-9-cyclopropyl-8-(furan-2-yl)purine is Clc1ncnc2c1nc(-c1ccco1)n2C1CC1.
What is the InChIKey of 6-chloro-9-cyclopropyl-8-(furan-2-yl)purine?
The InChIKey is NLFBMEKPAZGBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c13-10-9-12(15-6-14-10)17(7-3-4-7)11(16-9)8-2-1-5-18-8/h1-2,5-7H,3-4H2.
What are the key properties of 6-chloro-9-cyclopropyl-8-(furan-2-yl)purine?
6-chloro-9-cyclopropyl-8-(furan-2-yl)purine has a molecular weight of 260.68 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-cyclopropyl-8-(furan-2-yl)purine is sourced from PubChem (CID 101047400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).