7H-purine-6,8-diamine;dihydrochloride

C5H8Cl2N6 — CID 45264504

IUPAC7H-purine-6,8-diamine;dihydrochloride
SMILESCl.Cl.Nc1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C5H6N6.2ClH/c6-3-2-4(9-1-8-3)11-5(7)10-2;;/h1H,(H5,6,7,8,9,10,11);2*1H
InChIKeyRLDHAURDRDYWSA-UHFFFAOYSA-N
MW223.07 g/mol
LogP0.36
Rot. Bonds

About 7H-purine-6,8-diamine;dihydrochloride

7H-purine-6,8-diamine;dihydrochloride (PubChem CID 45264504) has the molecular formula C5H8Cl2N6 and a molecular weight of 223.07 g/mol. Its IUPAC name is 7H-purine-6,8-diamine;dihydrochloride.

Molecular Properties

Compound Name7H-purine-6,8-diamine;dihydrochloride
PubChem CID45264504
Molecular FormulaC5H8Cl2N6
Molecular Weight223.07 g/mol
Exact Mass222.02
IUPAC Name7H-purine-6,8-diamine;dihydrochloride
SMILESCl.Cl.Nc1nc2ncnc(N)c2[nH]1
InChIInChI=1S/C5H6N6.2ClH/c6-3-2-4(9-1-8-3)11-5(7)10-2;;/h1H,(H5,6,7,8,9,10,11);2*1H
InChIKeyRLDHAURDRDYWSA-UHFFFAOYSA-N
XLogP0.36
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7H-purine-6,8-diamine;dihydrochloride?
The IUPAC name of 7H-purine-6,8-diamine;dihydrochloride (CID 45264504) is 7H-purine-6,8-diamine;dihydrochloride.
What is the SMILES notation for 7H-purine-6,8-diamine;dihydrochloride?
The canonical SMILES for 7H-purine-6,8-diamine;dihydrochloride is Cl.Cl.Nc1nc2ncnc(N)c2[nH]1.
What is the InChIKey of 7H-purine-6,8-diamine;dihydrochloride?
The InChIKey is RLDHAURDRDYWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6.2ClH/c6-3-2-4(9-1-8-3)11-5(7)10-2;;/h1H,(H5,6,7,8,9,10,11);2*1H.
What are the key properties of 7H-purine-6,8-diamine;dihydrochloride?
7H-purine-6,8-diamine;dihydrochloride has a molecular weight of 223.07 g/mol, XLogP of 0.36, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-purine-6,8-diamine;dihydrochloride is sourced from PubChem (CID 45264504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).