N-prop-2-enyl-7H-purin-2-amine

C8H9N5 — CID 66684937

IUPACN-prop-2-enyl-7H-purin-2-amine
SMILESC=CCNc1ncc2[nH]cnc2n1
InChIInChI=1S/C8H9N5/c1-2-3-9-8-10-4-6-7(13-8)12-5-11-6/h2,4-5H,1,3H2,(H2,9,10,11,12,13)
InChIKeyRIQJTFJVIBSMAI-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.95
Rot. Bonds3

About N-prop-2-enyl-7H-purin-2-amine

N-prop-2-enyl-7H-purin-2-amine (PubChem CID 66684937) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is N-prop-2-enyl-7H-purin-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-7H-purin-2-amine
PubChem CID66684937
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC NameN-prop-2-enyl-7H-purin-2-amine
SMILESC=CCNc1ncc2[nH]cnc2n1
InChIInChI=1S/C8H9N5/c1-2-3-9-8-10-4-6-7(13-8)12-5-11-6/h2,4-5H,1,3H2,(H2,9,10,11,12,13)
InChIKeyRIQJTFJVIBSMAI-UHFFFAOYSA-N
XLogP0.95
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-7H-purin-2-amine?
The IUPAC name of N-prop-2-enyl-7H-purin-2-amine (CID 66684937) is N-prop-2-enyl-7H-purin-2-amine.
What is the SMILES notation for N-prop-2-enyl-7H-purin-2-amine?
The canonical SMILES for N-prop-2-enyl-7H-purin-2-amine is C=CCNc1ncc2[nH]cnc2n1.
What is the InChIKey of N-prop-2-enyl-7H-purin-2-amine?
The InChIKey is RIQJTFJVIBSMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-2-3-9-8-10-4-6-7(13-8)12-5-11-6/h2,4-5H,1,3H2,(H2,9,10,11,12,13).
What are the key properties of N-prop-2-enyl-7H-purin-2-amine?
N-prop-2-enyl-7H-purin-2-amine has a molecular weight of 175.19 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-7H-purin-2-amine is sourced from PubChem (CID 66684937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).