6-chloro-7H-purin-2-amine

C5H4ClN5 — CID 5360349

IUPAC6-chloro-7H-purin-2-amine
SMILESNc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
InChIKeyRYYIULNRIVUMTQ-UHFFFAOYSA-N
MW169.58 g/mol
LogP0.59
Rot. Bonds

About 6-chloro-7H-purin-2-amine

6-chloro-7H-purin-2-amine (PubChem CID 5360349) has the molecular formula C5H4ClN5 and a molecular weight of 169.58 g/mol. Its IUPAC name is 6-chloro-7H-purin-2-amine.

Molecular Properties

Compound Name6-chloro-7H-purin-2-amine
PubChem CID5360349
Molecular FormulaC5H4ClN5
Molecular Weight169.58 g/mol
Exact Mass169.02
IUPAC Name6-chloro-7H-purin-2-amine
SMILESNc1nc(Cl)c2[nH]cnc2n1
InChIInChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
InChIKeyRYYIULNRIVUMTQ-UHFFFAOYSA-N
XLogP0.59
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.58
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7H-purin-2-amine?
The IUPAC name of 6-chloro-7H-purin-2-amine (CID 5360349) is 6-chloro-7H-purin-2-amine.
What is the SMILES notation for 6-chloro-7H-purin-2-amine?
The canonical SMILES for 6-chloro-7H-purin-2-amine is Nc1nc(Cl)c2[nH]cnc2n1.
What is the InChIKey of 6-chloro-7H-purin-2-amine?
The InChIKey is RYYIULNRIVUMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11).
What are the key properties of 6-chloro-7H-purin-2-amine?
6-chloro-7H-purin-2-amine has a molecular weight of 169.58 g/mol, XLogP of 0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7H-purin-2-amine is sourced from PubChem (CID 5360349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).