2-chloro-7H-purin-6-amine;2-chloro-7H-purin-8-amine

C10H8Cl2N10 — CID 159573001

IUPAC2-chloro-7H-purin-6-amine;2-chloro-7H-purin-8-amine
SMILESNc1nc(Cl)nc2nc[nH]c12.Nc1nc2nc(Cl)ncc2[nH]1
InChIInChI=1S/2C5H4ClN5/c6-5-10-3(7)2-4(11-5)9-1-8-2;6-4-8-1-2-3(10-4)11-5(7)9-2/h2*1H,(H3,7,8,9,10,11)
InChIKeyMIBCTNGJAOGXJP-UHFFFAOYSA-N
MW339.15 g/mol
LogP1.18
Rot. Bonds

About 2-chloro-7H-purin-6-amine;2-chloro-7H-purin-8-amine

2-chloro-7H-purin-6-amine;2-chloro-7H-purin-8-amine (PubChem CID 159573001) has the molecular formula C10H8Cl2N10 and a molecular weight of 339.15 g/mol. Its IUPAC name is 2-chloro-7H-purin-6-amine;2-chloro-7H-purin-8-amine.

Molecular Properties

Compound Name2-chloro-7H-purin-6-amine;2-chloro-7H-purin-8-amine
PubChem CID159573001
Molecular FormulaC10H8Cl2N10
Molecular Weight339.15 g/mol
Exact Mass338.03
IUPAC Name2-chloro-7H-purin-6-amine;2-chloro-7H-purin-8-amine
SMILESNc1nc(Cl)nc2nc[nH]c12.Nc1nc2nc(Cl)ncc2[nH]1
InChIInChI=1S/2C5H4ClN5/c6-5-10-3(7)2-4(11-5)9-1-8-2;6-4-8-1-2-3(10-4)11-5(7)9-2/h2*1H,(H3,7,8,9,10,11)
InChIKeyMIBCTNGJAOGXJP-UHFFFAOYSA-N
XLogP1.18
TPSA160.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-7H-purine;hydrobromide
CID 172776309
2,6-dichloro-7H-purine
CID 10750289
2-amino-1,7-dihydropurin-6-one;dihydrochloride
CID 140978979
potassium;2,6-dichloro-7H-purine;hydride
CID 173320369
2-fluoro-7H-purin-8-amine
CID 142660293
magnesium;2-amino-1,7-dihydropurin-6-one;dichloride
CID 174866452
bis(2-amino-1,7-dihydropurin-6-one);trihydrate;dihydroiodide
CID 135724792
2-amino-1,7-dihydropurin-6-one;copper;dihydrate
CID 139263394
CID 71440217
CID 71440217
chloromercury;2-methoxy-7H-purin-6-amine
CID 69287233
CID 71440216
CID 71440216
2-amino-1,7-dihydropurin-6-one;methoxymethane
CID 170791174

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7H-purin-6-amine;2-chloro-7H-purin-8-amine?
The IUPAC name of 2-chloro-7H-purin-6-amine;2-chloro-7H-purin-8-amine (CID 159573001) is 2-chloro-7H-purin-6-amine;2-chloro-7H-purin-8-amine.
What is the SMILES notation for 2-chloro-7H-purin-6-amine;2-chloro-7H-purin-8-amine?
The canonical SMILES for 2-chloro-7H-purin-6-amine;2-chloro-7H-purin-8-amine is Nc1nc(Cl)nc2nc[nH]c12.Nc1nc2nc(Cl)ncc2[nH]1.
What is the InChIKey of 2-chloro-7H-purin-6-amine;2-chloro-7H-purin-8-amine?
The InChIKey is MIBCTNGJAOGXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4ClN5/c6-5-10-3(7)2-4(11-5)9-1-8-2;6-4-8-1-2-3(10-4)11-5(7)9-2/h2*1H,(H3,7,8,9,10,11).
What are the key properties of 2-chloro-7H-purin-6-amine;2-chloro-7H-purin-8-amine?
2-chloro-7H-purin-6-amine;2-chloro-7H-purin-8-amine has a molecular weight of 339.15 g/mol, XLogP of 1.18, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7H-purin-6-amine;2-chloro-7H-purin-8-amine is sourced from PubChem (CID 159573001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).