4,7-dihydro-1H-purin-6-amine

C5H7N5 — CID 55284895

IUPAC4,7-dihydro-1H-purin-6-amine
SMILESNC1=C2NC=NC2N=CN1
InChIInChI=1S/C5H7N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2,5H,6H2,(H,7,9)(H,8,10)
InChIKeyVNDXELKRPCUGKN-UHFFFAOYSA-N
MW137.15 g/mol
LogP-1.30
Rot. Bonds

About 4,7-dihydro-1H-purin-6-amine

4,7-dihydro-1H-purin-6-amine (PubChem CID 55284895) has the molecular formula C5H7N5 and a molecular weight of 137.15 g/mol. Its IUPAC name is 4,7-dihydro-1H-purin-6-amine.

Molecular Properties

Compound Name4,7-dihydro-1H-purin-6-amine
PubChem CID55284895
Molecular FormulaC5H7N5
Molecular Weight137.15 g/mol
Exact Mass137.07
IUPAC Name4,7-dihydro-1H-purin-6-amine
SMILESNC1=C2NC=NC2N=CN1
InChIInChI=1S/C5H7N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2,5H,6H2,(H,7,9)(H,8,10)
InChIKeyVNDXELKRPCUGKN-UHFFFAOYSA-N
XLogP-1.30
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.15
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,7-dihydro-1H-purin-6-amine?
The IUPAC name of 4,7-dihydro-1H-purin-6-amine (CID 55284895) is 4,7-dihydro-1H-purin-6-amine.
What is the SMILES notation for 4,7-dihydro-1H-purin-6-amine?
The canonical SMILES for 4,7-dihydro-1H-purin-6-amine is NC1=C2NC=NC2N=CN1.
What is the InChIKey of 4,7-dihydro-1H-purin-6-amine?
The InChIKey is VNDXELKRPCUGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2,5H,6H2,(H,7,9)(H,8,10).
What are the key properties of 4,7-dihydro-1H-purin-6-amine?
4,7-dihydro-1H-purin-6-amine has a molecular weight of 137.15 g/mol, XLogP of -1.30, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydro-1H-purin-6-amine is sourced from PubChem (CID 55284895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).