8-cyclobutyl-N-(furan-2-ylmethyl)-7H-purin-6-amine

C14H15N5O — CID 155187452

IUPAC8-cyclobutyl-N-(furan-2-ylmethyl)-7H-purin-6-amine
SMILESc1coc(CNc2ncnc3nc(C4CCC4)[nH]c23)c1
InChIInChI=1S/C14H15N5O/c1-3-9(4-1)12-18-11-13(16-8-17-14(11)19-12)15-7-10-5-2-6-20-10/h2,5-6,8-9H,1,3-4,7H2,(H2,15,16,17,18,19)
InChIKeyZZNSJDNHDSEJJV-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.83
Rot. Bonds4

About 8-cyclobutyl-N-(furan-2-ylmethyl)-7H-purin-6-amine

8-cyclobutyl-N-(furan-2-ylmethyl)-7H-purin-6-amine (PubChem CID 155187452) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 8-cyclobutyl-N-(furan-2-ylmethyl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-cyclobutyl-N-(furan-2-ylmethyl)-7H-purin-6-amine
PubChem CID155187452
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name8-cyclobutyl-N-(furan-2-ylmethyl)-7H-purin-6-amine
SMILESc1coc(CNc2ncnc3nc(C4CCC4)[nH]c23)c1
InChIInChI=1S/C14H15N5O/c1-3-9(4-1)12-18-11-13(16-8-17-14(11)19-12)15-7-10-5-2-6-20-10/h2,5-6,8-9H,1,3-4,7H2,(H2,15,16,17,18,19)
InChIKeyZZNSJDNHDSEJJV-UHFFFAOYSA-N
XLogP2.83
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyclobutyl-N-(furan-2-ylmethyl)-7H-purin-6-amine?
The IUPAC name of 8-cyclobutyl-N-(furan-2-ylmethyl)-7H-purin-6-amine (CID 155187452) is 8-cyclobutyl-N-(furan-2-ylmethyl)-7H-purin-6-amine.
What is the SMILES notation for 8-cyclobutyl-N-(furan-2-ylmethyl)-7H-purin-6-amine?
The canonical SMILES for 8-cyclobutyl-N-(furan-2-ylmethyl)-7H-purin-6-amine is c1coc(CNc2ncnc3nc(C4CCC4)[nH]c23)c1.
What is the InChIKey of 8-cyclobutyl-N-(furan-2-ylmethyl)-7H-purin-6-amine?
The InChIKey is ZZNSJDNHDSEJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-3-9(4-1)12-18-11-13(16-8-17-14(11)19-12)15-7-10-5-2-6-20-10/h2,5-6,8-9H,1,3-4,7H2,(H2,15,16,17,18,19).
What are the key properties of 8-cyclobutyl-N-(furan-2-ylmethyl)-7H-purin-6-amine?
8-cyclobutyl-N-(furan-2-ylmethyl)-7H-purin-6-amine has a molecular weight of 269.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclobutyl-N-(furan-2-ylmethyl)-7H-purin-6-amine is sourced from PubChem (CID 155187452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).