5,6-dihydro-3H-purin-6-amine

C5H7N5 — CID 55291350

IUPAC5,6-dihydro-3H-purin-6-amine
SMILESNC1N=CNC2=NC=NC21
InChIInChI=1S/C5H7N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-4H,6H2,(H,7,8,9,10)
InChIKeyNQMLDCCCWTYOAQ-UHFFFAOYSA-N
MW137.15 g/mol
LogP-1.29
Rot. Bonds

About 5,6-dihydro-3H-purin-6-amine

5,6-dihydro-3H-purin-6-amine (PubChem CID 55291350) has the molecular formula C5H7N5 and a molecular weight of 137.15 g/mol. Its IUPAC name is 5,6-dihydro-3H-purin-6-amine.

Molecular Properties

Compound Name5,6-dihydro-3H-purin-6-amine
PubChem CID55291350
Molecular FormulaC5H7N5
Molecular Weight137.15 g/mol
Exact Mass137.07
IUPAC Name5,6-dihydro-3H-purin-6-amine
SMILESNC1N=CNC2=NC=NC21
InChIInChI=1S/C5H7N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-4H,6H2,(H,7,8,9,10)
InChIKeyNQMLDCCCWTYOAQ-UHFFFAOYSA-N
XLogP-1.29
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.15
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-3H-purin-6-amine?
The IUPAC name of 5,6-dihydro-3H-purin-6-amine (CID 55291350) is 5,6-dihydro-3H-purin-6-amine.
What is the SMILES notation for 5,6-dihydro-3H-purin-6-amine?
The canonical SMILES for 5,6-dihydro-3H-purin-6-amine is NC1N=CNC2=NC=NC21.
What is the InChIKey of 5,6-dihydro-3H-purin-6-amine?
The InChIKey is NQMLDCCCWTYOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-4H,6H2,(H,7,8,9,10).
What are the key properties of 5,6-dihydro-3H-purin-6-amine?
5,6-dihydro-3H-purin-6-amine has a molecular weight of 137.15 g/mol, XLogP of -1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-3H-purin-6-amine is sourced from PubChem (CID 55291350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).