8-methyl-6-piperazin-1-yl-7H-purine;dihydrochloride

C10H16Cl2N6 — CID 19969708

IUPAC8-methyl-6-piperazin-1-yl-7H-purine;dihydrochloride
SMILESCc1nc2ncnc(N3CCNCC3)c2[nH]1.Cl.Cl
InChIInChI=1S/C10H14N6.2ClH/c1-7-14-8-9(15-7)12-6-13-10(8)16-4-2-11-3-5-16;;/h6,11H,2-5H2,1H3,(H,12,13,14,15);2*1H
InChIKeyVPBARBSMUSJOOA-UHFFFAOYSA-N
MW291.19 g/mol
LogP0.91
Rot. Bonds1

About 8-methyl-6-piperazin-1-yl-7H-purine;dihydrochloride

8-methyl-6-piperazin-1-yl-7H-purine;dihydrochloride (PubChem CID 19969708) has the molecular formula C10H16Cl2N6 and a molecular weight of 291.19 g/mol. Its IUPAC name is 8-methyl-6-piperazin-1-yl-7H-purine;dihydrochloride.

Molecular Properties

Compound Name8-methyl-6-piperazin-1-yl-7H-purine;dihydrochloride
PubChem CID19969708
Molecular FormulaC10H16Cl2N6
Molecular Weight291.19 g/mol
Exact Mass290.08
IUPAC Name8-methyl-6-piperazin-1-yl-7H-purine;dihydrochloride
SMILESCc1nc2ncnc(N3CCNCC3)c2[nH]1.Cl.Cl
InChIInChI=1S/C10H14N6.2ClH/c1-7-14-8-9(15-7)12-6-13-10(8)16-4-2-11-3-5-16;;/h6,11H,2-5H2,1H3,(H,12,13,14,15);2*1H
InChIKeyVPBARBSMUSJOOA-UHFFFAOYSA-N
XLogP0.91
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-piperazin-1-yl-7H-purine;dihydrochloride?
The IUPAC name of 8-methyl-6-piperazin-1-yl-7H-purine;dihydrochloride (CID 19969708) is 8-methyl-6-piperazin-1-yl-7H-purine;dihydrochloride.
What is the SMILES notation for 8-methyl-6-piperazin-1-yl-7H-purine;dihydrochloride?
The canonical SMILES for 8-methyl-6-piperazin-1-yl-7H-purine;dihydrochloride is Cc1nc2ncnc(N3CCNCC3)c2[nH]1.Cl.Cl.
What is the InChIKey of 8-methyl-6-piperazin-1-yl-7H-purine;dihydrochloride?
The InChIKey is VPBARBSMUSJOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6.2ClH/c1-7-14-8-9(15-7)12-6-13-10(8)16-4-2-11-3-5-16;;/h6,11H,2-5H2,1H3,(H,12,13,14,15);2*1H.
What are the key properties of 8-methyl-6-piperazin-1-yl-7H-purine;dihydrochloride?
8-methyl-6-piperazin-1-yl-7H-purine;dihydrochloride has a molecular weight of 291.19 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-piperazin-1-yl-7H-purine;dihydrochloride is sourced from PubChem (CID 19969708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).