2,8-diamino-9-(furan-2-ylmethyl)-1H-purin-6-one

C10H10N6O2 — CID 135410228

IUPAC2,8-diamino-9-(furan-2-ylmethyl)-1H-purin-6-one
SMILESNc1nc2c(nc(N)n2Cc2ccco2)c(=O)[nH]1
InChIInChI=1S/C10H10N6O2/c11-9-14-7-6(8(17)15-9)13-10(12)16(7)4-5-2-1-3-18-5/h1-3H,4H2,(H2,12,13)(H3,11,14,15,17)
InChIKeyQKDLJUSXYAHDFI-UHFFFAOYSA-N
MW246.23 g/mol
LogP-0.07
Rot. Bonds2

About 2,8-diamino-9-(furan-2-ylmethyl)-1H-purin-6-one

2,8-diamino-9-(furan-2-ylmethyl)-1H-purin-6-one (PubChem CID 135410228) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2,8-diamino-9-(furan-2-ylmethyl)-1H-purin-6-one.

Molecular Properties

Compound Name2,8-diamino-9-(furan-2-ylmethyl)-1H-purin-6-one
PubChem CID135410228
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name2,8-diamino-9-(furan-2-ylmethyl)-1H-purin-6-one
SMILESNc1nc2c(nc(N)n2Cc2ccco2)c(=O)[nH]1
InChIInChI=1S/C10H10N6O2/c11-9-14-7-6(8(17)15-9)13-10(12)16(7)4-5-2-1-3-18-5/h1-3H,4H2,(H2,12,13)(H3,11,14,15,17)
InChIKeyQKDLJUSXYAHDFI-UHFFFAOYSA-N
XLogP-0.07
TPSA128.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Furafylline
CID 3433
8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
CID 4894361
N-(furan-2-ylmethyl)-9-methylpurin-6-amine
CID 221107
8-(Furan-2-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CID 2816272
1H-Purine-2,6-dione, 3,7-dihydro-8-((2-furanylmethyl)amino)-3-methyl-7-(phenylmethyl)-
CID 1084944
1H-Purine-2,6-dione, 3,7-dihydro-8-((2-furanylmethyl)amino)-3-methyl-7-(2-phenoxyethyl)-
CID 1084969
2-Amino-8-[(furan-2-ylmethyl)-amino]-1,9-dihydro-purin-6-one
CID 136055831
3-benzyl-8-[(furan-2-yl)methyl]-1-methyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione
CID 4901642
8-(furan-2-ylmethyl)-1-methyl-3-propyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
CID 6457777
8-Benzyl-3-(furan-2-ylmethyl)-7-methyl-1-propylpurine-2,6-dione
CID 11143352
1,3-Dipropyl-8-(2-furanyl)xanthine
CID 14154537
2-Amino-8-furan-2-ylmethyl-1,9-dihydro-purin-6-one
CID 135723893

Frequently Asked Questions

What is the IUPAC name of 2,8-diamino-9-(furan-2-ylmethyl)-1H-purin-6-one?
The IUPAC name of 2,8-diamino-9-(furan-2-ylmethyl)-1H-purin-6-one (CID 135410228) is 2,8-diamino-9-(furan-2-ylmethyl)-1H-purin-6-one.
What is the SMILES notation for 2,8-diamino-9-(furan-2-ylmethyl)-1H-purin-6-one?
The canonical SMILES for 2,8-diamino-9-(furan-2-ylmethyl)-1H-purin-6-one is Nc1nc2c(nc(N)n2Cc2ccco2)c(=O)[nH]1.
What is the InChIKey of 2,8-diamino-9-(furan-2-ylmethyl)-1H-purin-6-one?
The InChIKey is QKDLJUSXYAHDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2/c11-9-14-7-6(8(17)15-9)13-10(12)16(7)4-5-2-1-3-18-5/h1-3H,4H2,(H2,12,13)(H3,11,14,15,17).
What are the key properties of 2,8-diamino-9-(furan-2-ylmethyl)-1H-purin-6-one?
2,8-diamino-9-(furan-2-ylmethyl)-1H-purin-6-one has a molecular weight of 246.23 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diamino-9-(furan-2-ylmethyl)-1H-purin-6-one is sourced from PubChem (CID 135410228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).