2-chloro-N-methyl-7H-purin-8-amine

C6H6ClN5 — CID 20781937

IUPAC2-chloro-N-methyl-7H-purin-8-amine
SMILESCNc1nc2nc(Cl)ncc2[nH]1
InChIInChI=1S/C6H6ClN5/c1-8-6-10-3-2-9-5(7)11-4(3)12-6/h2H,1H3,(H2,8,9,10,11,12)
InChIKeyLQZSSFIFIBLJPB-UHFFFAOYSA-N
MW183.60 g/mol
LogP1.05
Rot. Bonds1

About 2-chloro-N-methyl-7H-purin-8-amine

2-chloro-N-methyl-7H-purin-8-amine (PubChem CID 20781937) has the molecular formula C6H6ClN5 and a molecular weight of 183.60 g/mol. Its IUPAC name is 2-chloro-N-methyl-7H-purin-8-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-7H-purin-8-amine
PubChem CID20781937
Molecular FormulaC6H6ClN5
Molecular Weight183.60 g/mol
Exact Mass183.03
IUPAC Name2-chloro-N-methyl-7H-purin-8-amine
SMILESCNc1nc2nc(Cl)ncc2[nH]1
InChIInChI=1S/C6H6ClN5/c1-8-6-10-3-2-9-5(7)11-4(3)12-6/h2H,1H3,(H2,8,9,10,11,12)
InChIKeyLQZSSFIFIBLJPB-UHFFFAOYSA-N
XLogP1.05
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-7H-purin-8-amine?
The IUPAC name of 2-chloro-N-methyl-7H-purin-8-amine (CID 20781937) is 2-chloro-N-methyl-7H-purin-8-amine.
What is the SMILES notation for 2-chloro-N-methyl-7H-purin-8-amine?
The canonical SMILES for 2-chloro-N-methyl-7H-purin-8-amine is CNc1nc2nc(Cl)ncc2[nH]1.
What is the InChIKey of 2-chloro-N-methyl-7H-purin-8-amine?
The InChIKey is LQZSSFIFIBLJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN5/c1-8-6-10-3-2-9-5(7)11-4(3)12-6/h2H,1H3,(H2,8,9,10,11,12).
What are the key properties of 2-chloro-N-methyl-7H-purin-8-amine?
2-chloro-N-methyl-7H-purin-8-amine has a molecular weight of 183.60 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-7H-purin-8-amine is sourced from PubChem (CID 20781937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).