6-chloro-7-prop-2-enylpurin-2-amine

C8H8ClN5 — CID 15673670

IUPAC6-chloro-7-prop-2-enylpurin-2-amine
SMILESC=CCn1cnc2nc(N)nc(Cl)c21
InChIInChI=1S/C8H8ClN5/c1-2-3-14-4-11-7-5(14)6(9)12-8(10)13-7/h2,4H,1,3H2,(H2,10,12,13)
InChIKeyXTVYIIFSFGIPIA-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.25
Rot. Bonds2

About 6-chloro-7-prop-2-enylpurin-2-amine

6-chloro-7-prop-2-enylpurin-2-amine (PubChem CID 15673670) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 6-chloro-7-prop-2-enylpurin-2-amine.

Molecular Properties

Compound Name6-chloro-7-prop-2-enylpurin-2-amine
PubChem CID15673670
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name6-chloro-7-prop-2-enylpurin-2-amine
SMILESC=CCn1cnc2nc(N)nc(Cl)c21
InChIInChI=1S/C8H8ClN5/c1-2-3-14-4-11-7-5(14)6(9)12-8(10)13-7/h2,4H,1,3H2,(H2,10,12,13)
InChIKeyXTVYIIFSFGIPIA-UHFFFAOYSA-N
XLogP1.25
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-chloro-7-prop-2-enylpurin-2-amine?
The IUPAC name of 6-chloro-7-prop-2-enylpurin-2-amine (CID 15673670) is 6-chloro-7-prop-2-enylpurin-2-amine.
What is the SMILES notation for 6-chloro-7-prop-2-enylpurin-2-amine?
The canonical SMILES for 6-chloro-7-prop-2-enylpurin-2-amine is C=CCn1cnc2nc(N)nc(Cl)c21.
What is the InChIKey of 6-chloro-7-prop-2-enylpurin-2-amine?
The InChIKey is XTVYIIFSFGIPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c1-2-3-14-4-11-7-5(14)6(9)12-8(10)13-7/h2,4H,1,3H2,(H2,10,12,13).
What are the key properties of 6-chloro-7-prop-2-enylpurin-2-amine?
6-chloro-7-prop-2-enylpurin-2-amine has a molecular weight of 209.64 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-prop-2-enylpurin-2-amine is sourced from PubChem (CID 15673670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).