7H-purin-2-amine

C5H5N5 — CID 9955

IUPAC7H-purin-2-amine
SMILESNc1ncc2[nH]cnc2n1
InChIInChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)
InChIKeyMWBWWFOAEOYUST-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.06
Rot. Bonds

About 7H-purin-2-amine

7H-purin-2-amine (PubChem CID 9955) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is 7H-purin-2-amine.

Molecular Properties

Compound Name7H-purin-2-amine
PubChem CID9955
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC Name7H-purin-2-amine
SMILESNc1ncc2[nH]cnc2n1
InChIInChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)
InChIKeyMWBWWFOAEOYUST-UHFFFAOYSA-N
XLogP-0.06
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7H-purin-2-amine?
The IUPAC name of 7H-purin-2-amine (CID 9955) is 7H-purin-2-amine.
What is the SMILES notation for 7H-purin-2-amine?
The canonical SMILES for 7H-purin-2-amine is Nc1ncc2[nH]cnc2n1.
What is the InChIKey of 7H-purin-2-amine?
The InChIKey is MWBWWFOAEOYUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10).
What are the key properties of 7H-purin-2-amine?
7H-purin-2-amine has a molecular weight of 135.13 g/mol, XLogP of -0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-purin-2-amine is sourced from PubChem (CID 9955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).