9-(oxolan-2-yl)purin-6-amine

C9H11N5O — CID 5270

IUPAC9-(oxolan-2-yl)purin-6-amine
SMILESNc1ncnc2c1ncn2C1CCCO1
InChIInChI=1S/C9H11N5O/c10-8-7-9(12-4-11-8)14(5-13-7)6-2-1-3-15-6/h4-6H,1-3H2,(H2,10,11,12)
InChIKeyUKHMZCMKHPHFOT-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.72
Rot. Bonds1

About 9-(oxolan-2-yl)purin-6-amine

9-(oxolan-2-yl)purin-6-amine (PubChem CID 5270) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 9-(oxolan-2-yl)purin-6-amine.

Molecular Properties

Compound Name9-(oxolan-2-yl)purin-6-amine
PubChem CID5270
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name9-(oxolan-2-yl)purin-6-amine
SMILESNc1ncnc2c1ncn2C1CCCO1
InChIInChI=1S/C9H11N5O/c10-8-7-9(12-4-11-8)14(5-13-7)6-2-1-3-15-6/h4-6H,1-3H2,(H2,10,11,12)
InChIKeyUKHMZCMKHPHFOT-UHFFFAOYSA-N
XLogP0.72
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Dideoxyadenosine
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5'-Deoxyadenosine
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Nb-001
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Amdoxovir
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9-(2-Phosphonylmethoxyethyl)-2,6-diaminopurine
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5-(6-Aminopurin-9-Yl)-2-(Hydroxymethyl)Oxolan-3-Ol
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Lodenosine
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5'-Deoxy-5'-fluoroadenosine
CID 448403

Frequently Asked Questions

What is the IUPAC name of 9-(oxolan-2-yl)purin-6-amine?
The IUPAC name of 9-(oxolan-2-yl)purin-6-amine (CID 5270) is 9-(oxolan-2-yl)purin-6-amine.
What is the SMILES notation for 9-(oxolan-2-yl)purin-6-amine?
The canonical SMILES for 9-(oxolan-2-yl)purin-6-amine is Nc1ncnc2c1ncn2C1CCCO1.
What is the InChIKey of 9-(oxolan-2-yl)purin-6-amine?
The InChIKey is UKHMZCMKHPHFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c10-8-7-9(12-4-11-8)14(5-13-7)6-2-1-3-15-6/h4-6H,1-3H2,(H2,10,11,12).
What are the key properties of 9-(oxolan-2-yl)purin-6-amine?
9-(oxolan-2-yl)purin-6-amine has a molecular weight of 205.22 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxolan-2-yl)purin-6-amine is sourced from PubChem (CID 5270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).