8-[6-[2-(furan-2-yl)ethyl]-7H-purin-2-yl]-7H-purin-6-amine

C16H13N9O — CID 123422552

IUPAC8-[6-[2-(furan-2-yl)ethyl]-7H-purin-2-yl]-7H-purin-6-amine
SMILESNc1ncnc2nc(-c3nc(CCc4ccco4)c4[nH]cnc4n3)[nH]c12
InChIInChI=1S/C16H13N9O/c17-12-11-14(21-7-19-12)25-16(23-11)15-22-9(4-3-8-2-1-5-26-8)10-13(24-15)20-6-18-10/h1-2,5-7H,3-4H2,(H,18,20,22,24)(H3,17,19,21,23,25)
InChIKeyXNKKQYZAGHUMIF-UHFFFAOYSA-N
MW347.34 g/mol
LogP1.65
Rot. Bonds4

About 8-[6-[2-(furan-2-yl)ethyl]-7H-purin-2-yl]-7H-purin-6-amine

8-[6-[2-(furan-2-yl)ethyl]-7H-purin-2-yl]-7H-purin-6-amine (PubChem CID 123422552) has the molecular formula C16H13N9O and a molecular weight of 347.34 g/mol. Its IUPAC name is 8-[6-[2-(furan-2-yl)ethyl]-7H-purin-2-yl]-7H-purin-6-amine.

Molecular Properties

Compound Name8-[6-[2-(furan-2-yl)ethyl]-7H-purin-2-yl]-7H-purin-6-amine
PubChem CID123422552
Molecular FormulaC16H13N9O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name8-[6-[2-(furan-2-yl)ethyl]-7H-purin-2-yl]-7H-purin-6-amine
SMILESNc1ncnc2nc(-c3nc(CCc4ccco4)c4[nH]cnc4n3)[nH]c12
InChIInChI=1S/C16H13N9O/c17-12-11-14(21-7-19-12)25-16(23-11)15-22-9(4-3-8-2-1-5-26-8)10-13(24-15)20-6-18-10/h1-2,5-7H,3-4H2,(H,18,20,22,24)(H3,17,19,21,23,25)
InChIKeyXNKKQYZAGHUMIF-UHFFFAOYSA-N
XLogP1.65
TPSA148.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 8-[6-[2-(furan-2-yl)ethyl]-7H-purin-2-yl]-7H-purin-6-amine with MolForge

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Related Compounds

6-N,6-N-bis(furan-2-ylmethyl)-7H-purine-2,6-diamine
CID 75505978
8-(2-bromofuran-3-yl)-7H-purin-6-amine
CID 106854955
8-(4-methyl-1,3-oxazol-5-yl)-7H-purin-6-amine
CID 114608408
7H-purin-6-amine;hydrochloride
CID 169432832
CID 67796265
CID 67796265
N-(furan-2-ylmethyl)-7H-purin-6-amine;urea
CID 68661345
8-(1-methylindazol-3-yl)-7H-purin-6-amine
CID 136785887
6-[[4-(furan-2-yl)phenyl]methyl]-7H-purine
CID 154330131
8-(2-ethylphenyl)-7H-purin-6-amine
CID 114608258
8-quinolin-8-yl-7H-purin-6-amine
CID 114608195
dicopper;dioxidanium;tetrakis(7H-purin-6-amine)
CID 5231973
8-[4-(chloromethyl)phenyl]-7H-purin-6-amine
CID 114608101

Frequently Asked Questions

What is the IUPAC name of 8-[6-[2-(furan-2-yl)ethyl]-7H-purin-2-yl]-7H-purin-6-amine?
The IUPAC name of 8-[6-[2-(furan-2-yl)ethyl]-7H-purin-2-yl]-7H-purin-6-amine (CID 123422552) is 8-[6-[2-(furan-2-yl)ethyl]-7H-purin-2-yl]-7H-purin-6-amine.
What is the SMILES notation for 8-[6-[2-(furan-2-yl)ethyl]-7H-purin-2-yl]-7H-purin-6-amine?
The canonical SMILES for 8-[6-[2-(furan-2-yl)ethyl]-7H-purin-2-yl]-7H-purin-6-amine is Nc1ncnc2nc(-c3nc(CCc4ccco4)c4[nH]cnc4n3)[nH]c12.
What is the InChIKey of 8-[6-[2-(furan-2-yl)ethyl]-7H-purin-2-yl]-7H-purin-6-amine?
The InChIKey is XNKKQYZAGHUMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N9O/c17-12-11-14(21-7-19-12)25-16(23-11)15-22-9(4-3-8-2-1-5-26-8)10-13(24-15)20-6-18-10/h1-2,5-7H,3-4H2,(H,18,20,22,24)(H3,17,19,21,23,25).
What are the key properties of 8-[6-[2-(furan-2-yl)ethyl]-7H-purin-2-yl]-7H-purin-6-amine?
8-[6-[2-(furan-2-yl)ethyl]-7H-purin-2-yl]-7H-purin-6-amine has a molecular weight of 347.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[2-(furan-2-yl)ethyl]-7H-purin-2-yl]-7H-purin-6-amine is sourced from PubChem (CID 123422552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).