[5-(6-amino-2-nitro-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol

C10H14N6O4 — CID 175806111

IUPAC[5-(6-amino-2-nitro-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol
SMILESNC1N=C([N+](=O)[O-])Nc2c1ncn2C1CCC(CO)O1
InChIInChI=1S/C10H14N6O4/c11-8-7-9(14-10(13-8)16(18)19)15(4-12-7)6-2-1-5(3-17)20-6/h4-6,8,17H,1-3,11H2,(H,13,14)
InChIKeyKGHOUYKTFWQSQP-UHFFFAOYSA-N
MW282.26 g/mol
LogP-0.43
Rot. Bonds2

About [5-(6-amino-2-nitro-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol

[5-(6-amino-2-nitro-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol (PubChem CID 175806111) has the molecular formula C10H14N6O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is [5-(6-amino-2-nitro-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(6-amino-2-nitro-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol
PubChem CID175806111
Molecular FormulaC10H14N6O4
Molecular Weight282.26 g/mol
Exact Mass282.11
IUPAC Name[5-(6-amino-2-nitro-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol
SMILESNC1N=C([N+](=O)[O-])Nc2c1ncn2C1CCC(CO)O1
InChIInChI=1S/C10H14N6O4/c11-8-7-9(14-10(13-8)16(18)19)15(4-12-7)6-2-1-5(3-17)20-6/h4-6,8,17H,1-3,11H2,(H,13,14)
InChIKeyKGHOUYKTFWQSQP-UHFFFAOYSA-N
XLogP-0.43
TPSA140.83 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(6-amino-2-nitro-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol?
The IUPAC name of [5-(6-amino-2-nitro-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol (CID 175806111) is [5-(6-amino-2-nitro-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [5-(6-amino-2-nitro-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol?
The canonical SMILES for [5-(6-amino-2-nitro-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol is NC1N=C([N+](=O)[O-])Nc2c1ncn2C1CCC(CO)O1.
What is the InChIKey of [5-(6-amino-2-nitro-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol?
The InChIKey is KGHOUYKTFWQSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O4/c11-8-7-9(14-10(13-8)16(18)19)15(4-12-7)6-2-1-5(3-17)20-6/h4-6,8,17H,1-3,11H2,(H,13,14).
What are the key properties of [5-(6-amino-2-nitro-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol?
[5-(6-amino-2-nitro-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol has a molecular weight of 282.26 g/mol, XLogP of -0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-amino-2-nitro-3,6-dihydropurin-9-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 175806111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).