6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine

C11H12N6O — CID 104623197

IUPAC6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine
SMILESCC(Nc1nc(N)nc2nc[nH]c12)c1ccco1
InChIInChI=1S/C11H12N6O/c1-6(7-3-2-4-18-7)15-10-8-9(14-5-13-8)16-11(12)17-10/h2-6H,1H3,(H4,12,13,14,15,16,17)
InChIKeyIWIAFNMVNSPQDS-UHFFFAOYSA-N
MW244.26 g/mol
LogP1.70
Rot. Bonds3

About 6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine

6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine (PubChem CID 104623197) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine
PubChem CID104623197
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine
SMILESCC(Nc1nc(N)nc2nc[nH]c12)c1ccco1
InChIInChI=1S/C11H12N6O/c1-6(7-3-2-4-18-7)15-10-8-9(14-5-13-8)16-11(12)17-10/h2-6H,1H3,(H4,12,13,14,15,16,17)
InChIKeyIWIAFNMVNSPQDS-UHFFFAOYSA-N
XLogP1.70
TPSA105.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine
CID 115669349
6-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623268
2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide
CID 141417768
6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950737
5-fluoro-4-N-[1-(furan-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80780792
6-N-[(3S)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950738
6-N-(3,4-dimethylheptan-2-yl)-7H-purine-2,6-diamine
CID 123369608
6-N-(1-phenylpropyl)-7H-purine-2,6-diamine
CID 104623517
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
3-[1-[(2-amino-7H-purin-6-yl)amino]ethyl]-8-chloro-2H-isoquinolin-1-one
CID 123377877
6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
CID 104623745
6-N-[(1S)-1-(1-methyl-6-pyridin-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]-7H-purine-2,6-diamine
CID 73055402

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine (CID 104623197) is 6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine is CC(Nc1nc(N)nc2nc[nH]c12)c1ccco1.
What is the InChIKey of 6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine?
The InChIKey is IWIAFNMVNSPQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-6(7-3-2-4-18-7)15-10-8-9(14-5-13-8)16-11(12)17-10/h2-6H,1H3,(H4,12,13,14,15,16,17).
What are the key properties of 6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine?
6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine has a molecular weight of 244.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 104623197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).