3-(furan-2-ylmethyl)-7H-purin-6-imine

C10H9N5O — CID 135435058

IUPAC3-(furan-2-ylmethyl)-7H-purin-6-imine
SMILES[H]/N=c1\ncn(Cc2ccco2)c2nc[nH]c12
InChIInChI=1S/C10H9N5O/c11-9-8-10(13-5-12-8)15(6-14-9)4-7-2-1-3-16-7/h1-3,5-6,11H,4H2,(H,12,13)/b11-9-
InChIKeyRBSHLUOGXKSTTL-LUAWRHEFSA-N
MW215.22 g/mol
LogP0.88
Rot. Bonds2

About 3-(furan-2-ylmethyl)-7H-purin-6-imine

3-(furan-2-ylmethyl)-7H-purin-6-imine (PubChem CID 135435058) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-7H-purin-6-imine.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-7H-purin-6-imine
PubChem CID135435058
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name3-(furan-2-ylmethyl)-7H-purin-6-imine
SMILES[H]/N=c1\ncn(Cc2ccco2)c2nc[nH]c12
InChIInChI=1S/C10H9N5O/c11-9-8-10(13-5-12-8)15(6-14-9)4-7-2-1-3-16-7/h1-3,5-6,11H,4H2,(H,12,13)/b11-9-
InChIKeyRBSHLUOGXKSTTL-LUAWRHEFSA-N
XLogP0.88
TPSA83.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Kinetin
CID 3830
Furafylline
CID 3433
N-(furan-2-ylmethyl)-9-methylpurin-6-amine
CID 221107
2-(furan-2-yl)-1H-imidazole
CID 665341
8-(Furan-2-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CID 2816272
2-chloro-N-((furan-2-yl)methyl)-7H-purin-6-amine
CID 5037694
2-Amino-8-[(furan-2-ylmethyl)-amino]-1,9-dihydro-purin-6-one
CID 136055831
N2-(2-furanylmethyl)-5-nitro-6-(1-pyrrolidinyl)pyrimidine-2,4-diamine
CID 4353120
1,3-Dipropyl-8-(2-furanyl)xanthine
CID 14154537
4-(2-Furanyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-C]pyridine
CID 21330731
2,8-Diamino-9-(furan-2-ylmethyl)-1H-purin-6(9H)-one
CID 135410228
N-(furan-2-ylmethyl)-1H-benzimidazol-2-amine
CID 923826

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-7H-purin-6-imine?
The IUPAC name of 3-(furan-2-ylmethyl)-7H-purin-6-imine (CID 135435058) is 3-(furan-2-ylmethyl)-7H-purin-6-imine.
What is the SMILES notation for 3-(furan-2-ylmethyl)-7H-purin-6-imine?
The canonical SMILES for 3-(furan-2-ylmethyl)-7H-purin-6-imine is [H]/N=c1\ncn(Cc2ccco2)c2nc[nH]c12.
What is the InChIKey of 3-(furan-2-ylmethyl)-7H-purin-6-imine?
The InChIKey is RBSHLUOGXKSTTL-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H9N5O/c11-9-8-10(13-5-12-8)15(6-14-9)4-7-2-1-3-16-7/h1-3,5-6,11H,4H2,(H,12,13)/b11-9-.
What are the key properties of 3-(furan-2-ylmethyl)-7H-purin-6-imine?
3-(furan-2-ylmethyl)-7H-purin-6-imine has a molecular weight of 215.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-7H-purin-6-imine is sourced from PubChem (CID 135435058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).