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

C6H6ClN5 — CID 4584789

IUPAC2-chloro-N-methyl-7H-purin-6-amine
SMILESCNc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C6H6ClN5/c1-8-4-3-5(10-2-9-3)12-6(7)11-4/h2H,1H3,(H2,8,9,10,11,12)
InChIKeyRIAVUEFUPHOGJY-UHFFFAOYSA-N
MW183.60 g/mol
LogP1.05
Rot. Bonds1

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

2-chloro-N-methyl-7H-purin-6-amine (PubChem CID 4584789) has the molecular formula C6H6ClN5 and a molecular weight of 183.60 g/mol. Its IUPAC name is 2-chloro-N-methyl-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-7H-purin-6-amine
PubChem CID4584789
Molecular FormulaC6H6ClN5
Molecular Weight183.60 g/mol
Exact Mass183.03
IUPAC Name2-chloro-N-methyl-7H-purin-6-amine
SMILESCNc1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C6H6ClN5/c1-8-4-3-5(10-2-9-3)12-6(7)11-4/h2H,1H3,(H2,8,9,10,11,12)
InChIKeyRIAVUEFUPHOGJY-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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Related Compounds

Adenine
CID 190
2,6-Diaminopurine
CID 30976
2-Aminopurine
CID 9955
Purine
CID 1044
6-Chloropurine
CID 5359277
Isopentenyladenine
CID 92180
6-Hydroxyaminopurine
CID 21876
6-Methylpurine
CID 5287547
6-Methylmercaptopurine
CID 5778
2-Amino-6-chloropurine
CID 5360349
6-Dimethylaminopurine
CID 3134
2-Fluoroadenine
CID 12790

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-methyl-7H-purin-6-amine (CID 4584789) is 2-chloro-N-methyl-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-methyl-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-methyl-7H-purin-6-amine is CNc1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 2-chloro-N-methyl-7H-purin-6-amine?
The InChIKey is RIAVUEFUPHOGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN5/c1-8-4-3-5(10-2-9-3)12-6(7)11-4/h2H,1H3,(H2,8,9,10,11,12).
What are the key properties of 2-chloro-N-methyl-7H-purin-6-amine?
2-chloro-N-methyl-7H-purin-6-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-6-amine is sourced from PubChem (CID 4584789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).