2-N,6-N,8-N-tris(furan-2-ylmethyl)-5,7-dihydro-3H-purine-2,6,8-triimine

C20H19N7O3 — CID 135815390

IUPAC2-N,6-N,8-N-tris(furan-2-ylmethyl)-5,7-dihydro-3H-purine-2,6,8-triimine
SMILESc1coc(C/N=C2\N=C3N/C(=N\Cc4ccco4)N/C(=N\Cc4ccco4)C3N2)c1
InChIInChI=1S/C20H19N7O3/c1-4-13(28-7-1)10-21-17-16-18(26-19(24-16)22-11-14-5-2-8-29-14)27-20(25-17)23-12-15-6-3-9-30-15/h1-9,16H,10-12H2,(H3,21,22,23,24,25,26,27)
InChIKeyIOFLMCZGAOMUPV-UHFFFAOYSA-N
MW405.42 g/mol
LogP2.04
Rot. Bonds6

About 2-N,6-N,8-N-tris(furan-2-ylmethyl)-5,7-dihydro-3H-purine-2,6,8-triimine

2-N,6-N,8-N-tris(furan-2-ylmethyl)-5,7-dihydro-3H-purine-2,6,8-triimine (PubChem CID 135815390) has the molecular formula C20H19N7O3 and a molecular weight of 405.42 g/mol. Its IUPAC name is 2-N,6-N,8-N-tris(furan-2-ylmethyl)-5,7-dihydro-3H-purine-2,6,8-triimine.

Molecular Properties

Compound Name2-N,6-N,8-N-tris(furan-2-ylmethyl)-5,7-dihydro-3H-purine-2,6,8-triimine
PubChem CID135815390
Molecular FormulaC20H19N7O3
Molecular Weight405.42 g/mol
Exact Mass405.15
IUPAC Name2-N,6-N,8-N-tris(furan-2-ylmethyl)-5,7-dihydro-3H-purine-2,6,8-triimine
SMILESc1coc(C/N=C2\N=C3N/C(=N\Cc4ccco4)N/C(=N\Cc4ccco4)C3N2)c1
InChIInChI=1S/C20H19N7O3/c1-4-13(28-7-1)10-21-17-16-18(26-19(24-16)22-11-14-5-2-8-29-14)27-20(25-17)23-12-15-6-3-9-30-15/h1-9,16H,10-12H2,(H3,21,22,23,24,25,26,27)
InChIKeyIOFLMCZGAOMUPV-UHFFFAOYSA-N
XLogP2.04
TPSA124.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-N,6-N,8-N-tris(furan-2-ylmethyl)-5,7-dihydro-3H-purine-2,6,8-triimine with MolForge

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Related Compounds

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CID 21317040
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CID 136718427
N-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871639
2-cyclopropyl-4-(furan-2-ylmethylimino)-1,3-dihydroquinazolin-2-amine
CID 175905688
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135549208
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CID 135644755
N-(furan-2-ylmethyl)-1H-benzo[cd]indol-2-imine
CID 135983993
3-(furan-2-ylmethylimino)-N,N-dimethyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-amine
CID 136924410
2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one
CID 137292355
2-(cyclobutylmethyl)furan
CID 139469251
4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
CID 65020416
7-(furan-2-ylmethyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
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Frequently Asked Questions

What is the IUPAC name of 2-N,6-N,8-N-tris(furan-2-ylmethyl)-5,7-dihydro-3H-purine-2,6,8-triimine?
The IUPAC name of 2-N,6-N,8-N-tris(furan-2-ylmethyl)-5,7-dihydro-3H-purine-2,6,8-triimine (CID 135815390) is 2-N,6-N,8-N-tris(furan-2-ylmethyl)-5,7-dihydro-3H-purine-2,6,8-triimine.
What is the SMILES notation for 2-N,6-N,8-N-tris(furan-2-ylmethyl)-5,7-dihydro-3H-purine-2,6,8-triimine?
The canonical SMILES for 2-N,6-N,8-N-tris(furan-2-ylmethyl)-5,7-dihydro-3H-purine-2,6,8-triimine is c1coc(C/N=C2\N=C3N/C(=N\Cc4ccco4)N/C(=N\Cc4ccco4)C3N2)c1.
What is the InChIKey of 2-N,6-N,8-N-tris(furan-2-ylmethyl)-5,7-dihydro-3H-purine-2,6,8-triimine?
The InChIKey is IOFLMCZGAOMUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O3/c1-4-13(28-7-1)10-21-17-16-18(26-19(24-16)22-11-14-5-2-8-29-14)27-20(25-17)23-12-15-6-3-9-30-15/h1-9,16H,10-12H2,(H3,21,22,23,24,25,26,27).
What are the key properties of 2-N,6-N,8-N-tris(furan-2-ylmethyl)-5,7-dihydro-3H-purine-2,6,8-triimine?
2-N,6-N,8-N-tris(furan-2-ylmethyl)-5,7-dihydro-3H-purine-2,6,8-triimine has a molecular weight of 405.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N,8-N-tris(furan-2-ylmethyl)-5,7-dihydro-3H-purine-2,6,8-triimine is sourced from PubChem (CID 135815390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).