4,7,8,9-tetrahydro-1H-purin-6-amine

C5H9N5 — CID 131970281

IUPAC4,7,8,9-tetrahydro-1H-purin-6-amine
SMILESNC1=C2NCNC2N=CN1
InChIInChI=1S/C5H9N5/c6-4-3-5(9-1-7-3)10-2-8-4/h2,5,7,9H,1,6H2,(H,8,10)
InChIKeyWOUXZWCUFYWDDQ-UHFFFAOYSA-N
MW139.16 g/mol
LogP-1.78
Rot. Bonds

About 4,7,8,9-tetrahydro-1H-purin-6-amine

4,7,8,9-tetrahydro-1H-purin-6-amine (PubChem CID 131970281) has the molecular formula C5H9N5 and a molecular weight of 139.16 g/mol. Its IUPAC name is 4,7,8,9-tetrahydro-1H-purin-6-amine.

Molecular Properties

Compound Name4,7,8,9-tetrahydro-1H-purin-6-amine
PubChem CID131970281
Molecular FormulaC5H9N5
Molecular Weight139.16 g/mol
Exact Mass139.09
IUPAC Name4,7,8,9-tetrahydro-1H-purin-6-amine
SMILESNC1=C2NCNC2N=CN1
InChIInChI=1S/C5H9N5/c6-4-3-5(9-1-7-3)10-2-8-4/h2,5,7,9H,1,6H2,(H,8,10)
InChIKeyWOUXZWCUFYWDDQ-UHFFFAOYSA-N
XLogP-1.78
TPSA74.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,7,8,9-tetrahydro-1H-purin-6-amine?
The IUPAC name of 4,7,8,9-tetrahydro-1H-purin-6-amine (CID 131970281) is 4,7,8,9-tetrahydro-1H-purin-6-amine.
What is the SMILES notation for 4,7,8,9-tetrahydro-1H-purin-6-amine?
The canonical SMILES for 4,7,8,9-tetrahydro-1H-purin-6-amine is NC1=C2NCNC2N=CN1.
What is the InChIKey of 4,7,8,9-tetrahydro-1H-purin-6-amine?
The InChIKey is WOUXZWCUFYWDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5/c6-4-3-5(9-1-7-3)10-2-8-4/h2,5,7,9H,1,6H2,(H,8,10).
What are the key properties of 4,7,8,9-tetrahydro-1H-purin-6-amine?
4,7,8,9-tetrahydro-1H-purin-6-amine has a molecular weight of 139.16 g/mol, XLogP of -1.78, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,8,9-tetrahydro-1H-purin-6-amine is sourced from PubChem (CID 131970281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).