3,7-dihydro-2H-purin-6-amine

C5H7N5 — CID 135462629

IUPAC3,7-dihydro-2H-purin-6-amine
SMILESNC1=NCNc2nc[nH]c21
InChIInChI=1S/C5H7N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1,10H,2H2,(H2,6,8)(H,7,9)
InChIKeyYSQDCOLHTIMEJV-UHFFFAOYSA-N
MW137.15 g/mol
LogP-0.50
Rot. Bonds

About 3,7-dihydro-2H-purin-6-amine

3,7-dihydro-2H-purin-6-amine (PubChem CID 135462629) has the molecular formula C5H7N5 and a molecular weight of 137.15 g/mol. Its IUPAC name is 3,7-dihydro-2H-purin-6-amine.

Molecular Properties

Compound Name3,7-dihydro-2H-purin-6-amine
PubChem CID135462629
Molecular FormulaC5H7N5
Molecular Weight137.15 g/mol
Exact Mass137.07
IUPAC Name3,7-dihydro-2H-purin-6-amine
SMILESNC1=NCNc2nc[nH]c21
InChIInChI=1S/C5H7N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1,10H,2H2,(H2,6,8)(H,7,9)
InChIKeyYSQDCOLHTIMEJV-UHFFFAOYSA-N
XLogP-0.50
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.15
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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
3,9-Dihydro-1H-purine-2,6-dithione
CID 1268252
7H-purin-2-ol
CID 75323
1-Methylthioguanine
CID 3032391
2-Thiopurine
CID 3015569
6-Mercapto-9-methylpurine
CID 3034000
1-Methyl-6-thiopurine
CID 3614737
1-Methyladenine
CID 135398646

Frequently Asked Questions

What is the IUPAC name of 3,7-dihydro-2H-purin-6-amine?
The IUPAC name of 3,7-dihydro-2H-purin-6-amine (CID 135462629) is 3,7-dihydro-2H-purin-6-amine.
What is the SMILES notation for 3,7-dihydro-2H-purin-6-amine?
The canonical SMILES for 3,7-dihydro-2H-purin-6-amine is NC1=NCNc2nc[nH]c21.
What is the InChIKey of 3,7-dihydro-2H-purin-6-amine?
The InChIKey is YSQDCOLHTIMEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1,10H,2H2,(H2,6,8)(H,7,9).
What are the key properties of 3,7-dihydro-2H-purin-6-amine?
3,7-dihydro-2H-purin-6-amine has a molecular weight of 137.15 g/mol, XLogP of -0.50, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydro-2H-purin-6-amine is sourced from PubChem (CID 135462629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).