9-propylpurine-2,6-diamine;dihydrochloride

C8H14Cl2N6 — CID 141031131

IUPAC9-propylpurine-2,6-diamine;dihydrochloride
SMILESCCCn1cnc2c(N)nc(N)nc21.Cl.Cl
InChIInChI=1S/C8H12N6.2ClH/c1-2-3-14-4-11-5-6(9)12-8(10)13-7(5)14;;/h4H,2-3H2,1H3,(H4,9,10,12,13);2*1H
InChIKeyLPFBQQFFQHZGQC-UHFFFAOYSA-N
MW265.15 g/mol
LogP1.24
Rot. Bonds2

About 9-propylpurine-2,6-diamine;dihydrochloride

9-propylpurine-2,6-diamine;dihydrochloride (PubChem CID 141031131) has the molecular formula C8H14Cl2N6 and a molecular weight of 265.15 g/mol. Its IUPAC name is 9-propylpurine-2,6-diamine;dihydrochloride.

Molecular Properties

Compound Name9-propylpurine-2,6-diamine;dihydrochloride
PubChem CID141031131
Molecular FormulaC8H14Cl2N6
Molecular Weight265.15 g/mol
Exact Mass264.07
IUPAC Name9-propylpurine-2,6-diamine;dihydrochloride
SMILESCCCn1cnc2c(N)nc(N)nc21.Cl.Cl
InChIInChI=1S/C8H12N6.2ClH/c1-2-3-14-4-11-5-6(9)12-8(10)13-7(5)14;;/h4H,2-3H2,1H3,(H4,9,10,12,13);2*1H
InChIKeyLPFBQQFFQHZGQC-UHFFFAOYSA-N
XLogP1.24
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol
CID 70039769
2-[2-(2,6-diaminopurin-9-yl)ethoxy]ethanol
CID 143078293
9-propylpurin-2-amine
CID 58755499
2-[(2,6-diaminopurin-9-yl)methyl]propane-1,3-diol
CID 15516211
6-chloro-9-pentylpurin-2-amine
CID 139201177
cyclopropane;9-methylpurine-2,6-diamine
CID 142265839
[(E)-4-(2,6-diaminopurin-9-yl)but-1-enyl]phosphonic acid
CID 6474330
(2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol
CID 67450867
9-[(2S)-3-methoxy-2-methylpropyl]purine-2,6-diamine
CID 163571544
azanium 2-(2,6-diaminopurin-9-yl)ethoxymethyl-ethoxyphosphinate
CID 10688070
[(2R)-4-(2,6-diaminopurin-9-yl)-2-hydroxybutyl]phosphonic acid
CID 153469313
9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine
CID 54053692

Frequently Asked Questions

What is the IUPAC name of 9-propylpurine-2,6-diamine;dihydrochloride?
The IUPAC name of 9-propylpurine-2,6-diamine;dihydrochloride (CID 141031131) is 9-propylpurine-2,6-diamine;dihydrochloride.
What is the SMILES notation for 9-propylpurine-2,6-diamine;dihydrochloride?
The canonical SMILES for 9-propylpurine-2,6-diamine;dihydrochloride is CCCn1cnc2c(N)nc(N)nc21.Cl.Cl.
What is the InChIKey of 9-propylpurine-2,6-diamine;dihydrochloride?
The InChIKey is LPFBQQFFQHZGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6.2ClH/c1-2-3-14-4-11-5-6(9)12-8(10)13-7(5)14;;/h4H,2-3H2,1H3,(H4,9,10,12,13);2*1H.
What are the key properties of 9-propylpurine-2,6-diamine;dihydrochloride?
9-propylpurine-2,6-diamine;dihydrochloride has a molecular weight of 265.15 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propylpurine-2,6-diamine;dihydrochloride is sourced from PubChem (CID 141031131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).