6,7-dihydro-3H-purine-2,6-diamine

C5H8N6 — CID 11030015

IUPAC6,7-dihydro-3H-purine-2,6-diamine
SMILESNC1=NC(N)c2[nH]cnc2N1
InChIInChI=1S/C5H8N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1,3H,6H2,(H,8,9)(H3,7,10,11)
InChIKeyVMBIKMLKDBHIRB-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.89
Rot. Bonds

About 6,7-dihydro-3H-purine-2,6-diamine

6,7-dihydro-3H-purine-2,6-diamine (PubChem CID 11030015) has the molecular formula C5H8N6 and a molecular weight of 152.16 g/mol. Its IUPAC name is 6,7-dihydro-3H-purine-2,6-diamine.

Molecular Properties

Compound Name6,7-dihydro-3H-purine-2,6-diamine
PubChem CID11030015
Molecular FormulaC5H8N6
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name6,7-dihydro-3H-purine-2,6-diamine
SMILESNC1=NC(N)c2[nH]cnc2N1
InChIInChI=1S/C5H8N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1,3H,6H2,(H,8,9)(H3,7,10,11)
InChIKeyVMBIKMLKDBHIRB-UHFFFAOYSA-N
XLogP-0.89
TPSA105.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-Mercaptopurine
CID 667490
Thioguanine
CID 2723601
6-Mercaptopurine Monohydrate
CID 2724350
3-Methyladenine
CID 135398661
3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine
CID 135438588
7H-purin-2-ol
CID 75323
9-Ethyl-6-mercaptopurine
CID 3032484
1-Methylthioguanine
CID 3032391
2-Thiopurine
CID 3015569
1-Methyl-6-thiopurine
CID 3614737
6-Mercaptopurine 3-oxide
CID 3032298
4,5-Dimethyl-1H-imidazole
CID 75306

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-3H-purine-2,6-diamine?
The IUPAC name of 6,7-dihydro-3H-purine-2,6-diamine (CID 11030015) is 6,7-dihydro-3H-purine-2,6-diamine.
What is the SMILES notation for 6,7-dihydro-3H-purine-2,6-diamine?
The canonical SMILES for 6,7-dihydro-3H-purine-2,6-diamine is NC1=NC(N)c2[nH]cnc2N1.
What is the InChIKey of 6,7-dihydro-3H-purine-2,6-diamine?
The InChIKey is VMBIKMLKDBHIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1,3H,6H2,(H,8,9)(H3,7,10,11).
What are the key properties of 6,7-dihydro-3H-purine-2,6-diamine?
6,7-dihydro-3H-purine-2,6-diamine has a molecular weight of 152.16 g/mol, XLogP of -0.89, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-3H-purine-2,6-diamine is sourced from PubChem (CID 11030015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).