ethane-1,2-diol;purin-9-amine

C7H11N5O2 — CID 174612658

IUPACethane-1,2-diol;purin-9-amine
SMILESNn1cnc2cncnc21.OCCO
InChIInChI=1S/C5H5N5.C2H6O2/c6-10-3-9-4-1-7-2-8-5(4)10;3-1-2-4/h1-3H,6H2;3-4H,1-2H2
InChIKeyOUKNHFYUGXWHGQ-UHFFFAOYSA-N
MW197.20 g/mol
LogP-1.49
Rot. Bonds1

About ethane-1,2-diol;purin-9-amine

ethane-1,2-diol;purin-9-amine (PubChem CID 174612658) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is ethane-1,2-diol;purin-9-amine.

Molecular Properties

Compound Nameethane-1,2-diol;purin-9-amine
PubChem CID174612658
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Nameethane-1,2-diol;purin-9-amine
SMILESNn1cnc2cncnc21.OCCO
InChIInChI=1S/C5H5N5.C2H6O2/c6-10-3-9-4-1-7-2-8-5(4)10;3-1-2-4/h1-3H,6H2;3-4H,1-2H2
InChIKeyOUKNHFYUGXWHGQ-UHFFFAOYSA-N
XLogP-1.49
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;purin-9-amine?
The IUPAC name of ethane-1,2-diol;purin-9-amine (CID 174612658) is ethane-1,2-diol;purin-9-amine.
What is the SMILES notation for ethane-1,2-diol;purin-9-amine?
The canonical SMILES for ethane-1,2-diol;purin-9-amine is Nn1cnc2cncnc21.OCCO.
What is the InChIKey of ethane-1,2-diol;purin-9-amine?
The InChIKey is OUKNHFYUGXWHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5.C2H6O2/c6-10-3-9-4-1-7-2-8-5(4)10;3-1-2-4/h1-3H,6H2;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;purin-9-amine?
ethane-1,2-diol;purin-9-amine has a molecular weight of 197.20 g/mol, XLogP of -1.49, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;purin-9-amine is sourced from PubChem (CID 174612658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).