9-(1-aminopropan-2-yloxymethyl)purin-6-amine;hydrochloride

C9H15ClN6O — CID 44531599

IUPAC9-(1-aminopropan-2-yloxymethyl)purin-6-amine;hydrochloride
SMILESCC(CN)OCn1cnc2c(N)ncnc21.Cl
InChIInChI=1S/C9H14N6O.ClH/c1-6(2-10)16-5-15-4-14-7-8(11)12-3-13-9(7)15;/h3-4,6H,2,5,10H2,1H3,(H2,11,12,13);1H
InChIKeyGHHZZKVPXUKWGF-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.15
Rot. Bonds4

About 9-(1-aminopropan-2-yloxymethyl)purin-6-amine;hydrochloride

9-(1-aminopropan-2-yloxymethyl)purin-6-amine;hydrochloride (PubChem CID 44531599) has the molecular formula C9H15ClN6O and a molecular weight of 258.71 g/mol. Its IUPAC name is 9-(1-aminopropan-2-yloxymethyl)purin-6-amine;hydrochloride.

Molecular Properties

Compound Name9-(1-aminopropan-2-yloxymethyl)purin-6-amine;hydrochloride
PubChem CID44531599
Molecular FormulaC9H15ClN6O
Molecular Weight258.71 g/mol
Exact Mass258.10
IUPAC Name9-(1-aminopropan-2-yloxymethyl)purin-6-amine;hydrochloride
SMILESCC(CN)OCn1cnc2c(N)ncnc21.Cl
InChIInChI=1S/C9H14N6O.ClH/c1-6(2-10)16-5-15-4-14-7-8(11)12-3-13-9(7)15;/h3-4,6H,2,5,10H2,1H3,(H2,11,12,13);1H
InChIKeyGHHZZKVPXUKWGF-UHFFFAOYSA-N
XLogP0.15
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-(1-aminopropan-2-yloxymethyl)purin-6-amine;hydrochloride?
The IUPAC name of 9-(1-aminopropan-2-yloxymethyl)purin-6-amine;hydrochloride (CID 44531599) is 9-(1-aminopropan-2-yloxymethyl)purin-6-amine;hydrochloride.
What is the SMILES notation for 9-(1-aminopropan-2-yloxymethyl)purin-6-amine;hydrochloride?
The canonical SMILES for 9-(1-aminopropan-2-yloxymethyl)purin-6-amine;hydrochloride is CC(CN)OCn1cnc2c(N)ncnc21.Cl.
What is the InChIKey of 9-(1-aminopropan-2-yloxymethyl)purin-6-amine;hydrochloride?
The InChIKey is GHHZZKVPXUKWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O.ClH/c1-6(2-10)16-5-15-4-14-7-8(11)12-3-13-9(7)15;/h3-4,6H,2,5,10H2,1H3,(H2,11,12,13);1H.
What are the key properties of 9-(1-aminopropan-2-yloxymethyl)purin-6-amine;hydrochloride?
9-(1-aminopropan-2-yloxymethyl)purin-6-amine;hydrochloride has a molecular weight of 258.71 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-aminopropan-2-yloxymethyl)purin-6-amine;hydrochloride is sourced from PubChem (CID 44531599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).