8-[2-(dimethylamino)ethylsulfanyl]-2-phenyl-7H-purin-6-amine

C15H18N6S — CID 13478848

IUPAC8-[2-(dimethylamino)ethylsulfanyl]-2-phenyl-7H-purin-6-amine
SMILESCN(C)CCSc1nc2nc(-c3ccccc3)nc(N)c2[nH]1
InChIInChI=1S/C15H18N6S/c1-21(2)8-9-22-15-17-11-12(16)18-13(19-14(11)20-15)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyUUDAVEHJGQSHBS-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.26
Rot. Bonds5

About 8-[2-(dimethylamino)ethylsulfanyl]-2-phenyl-7H-purin-6-amine

8-[2-(dimethylamino)ethylsulfanyl]-2-phenyl-7H-purin-6-amine (PubChem CID 13478848) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is 8-[2-(dimethylamino)ethylsulfanyl]-2-phenyl-7H-purin-6-amine.

Molecular Properties

Compound Name8-[2-(dimethylamino)ethylsulfanyl]-2-phenyl-7H-purin-6-amine
PubChem CID13478848
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC Name8-[2-(dimethylamino)ethylsulfanyl]-2-phenyl-7H-purin-6-amine
SMILESCN(C)CCSc1nc2nc(-c3ccccc3)nc(N)c2[nH]1
InChIInChI=1S/C15H18N6S/c1-21(2)8-9-22-15-17-11-12(16)18-13(19-14(11)20-15)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyUUDAVEHJGQSHBS-UHFFFAOYSA-N
XLogP2.26
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(dimethylamino)ethylsulfanyl]-2-phenyl-7H-purin-6-amine?
The IUPAC name of 8-[2-(dimethylamino)ethylsulfanyl]-2-phenyl-7H-purin-6-amine (CID 13478848) is 8-[2-(dimethylamino)ethylsulfanyl]-2-phenyl-7H-purin-6-amine.
What is the SMILES notation for 8-[2-(dimethylamino)ethylsulfanyl]-2-phenyl-7H-purin-6-amine?
The canonical SMILES for 8-[2-(dimethylamino)ethylsulfanyl]-2-phenyl-7H-purin-6-amine is CN(C)CCSc1nc2nc(-c3ccccc3)nc(N)c2[nH]1.
What is the InChIKey of 8-[2-(dimethylamino)ethylsulfanyl]-2-phenyl-7H-purin-6-amine?
The InChIKey is UUDAVEHJGQSHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c1-21(2)8-9-22-15-17-11-12(16)18-13(19-14(11)20-15)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H3,16,17,18,19,20).
What are the key properties of 8-[2-(dimethylamino)ethylsulfanyl]-2-phenyl-7H-purin-6-amine?
8-[2-(dimethylamino)ethylsulfanyl]-2-phenyl-7H-purin-6-amine has a molecular weight of 314.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(dimethylamino)ethylsulfanyl]-2-phenyl-7H-purin-6-amine is sourced from PubChem (CID 13478848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).