N-cyclohexyl-2-phenylsulfanyl-7H-purin-6-amine

C17H19N5S — CID 11450197

IUPACN-cyclohexyl-2-phenylsulfanyl-7H-purin-6-amine
SMILESc1ccc(Sc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C17H19N5S/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)21-17(22-16)23-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H2,18,19,20,21,22)
InChIKeyNFXCEGOWTIZWIH-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.25
Rot. Bonds4

About N-cyclohexyl-2-phenylsulfanyl-7H-purin-6-amine

N-cyclohexyl-2-phenylsulfanyl-7H-purin-6-amine (PubChem CID 11450197) has the molecular formula C17H19N5S and a molecular weight of 325.44 g/mol. Its IUPAC name is N-cyclohexyl-2-phenylsulfanyl-7H-purin-6-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-phenylsulfanyl-7H-purin-6-amine
PubChem CID11450197
Molecular FormulaC17H19N5S
Molecular Weight325.44 g/mol
Exact Mass325.14
IUPAC NameN-cyclohexyl-2-phenylsulfanyl-7H-purin-6-amine
SMILESc1ccc(Sc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C17H19N5S/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)21-17(22-16)23-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H2,18,19,20,21,22)
InChIKeyNFXCEGOWTIZWIH-UHFFFAOYSA-N
XLogP4.25
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-2-phenylsulfanyl-7H-purin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-((Phenylmethyl)thio)-9H-purine
CID 93558
6-Benzylthioguanine
CID 74644
Purine, 6-(m-fluorobenzylthio)-
CID 95109
6-(Phenylthio)-9H-purine
CID 95065
Purine, 6-((p-fluorobenzyl)thio)-
CID 95108
6-phenethylsulfanyl-7H-purin-2-amine
CID 943044
N*6*-Cyclohexyl-N*2*-phenyl-9H-purine-2,6-diamine
CID 11243768
N*6*-Cyclooctyl-N*2*-phenyl-9H-purine-2,6-diamine
CID 11484484
N*2*-Benzyl-N*6*-cyclohexyl-9H-purine-2,6-diamine
CID 15366659
8-((3,5-dichlorophenyl)thio)-9-(3-(isopropylamino)propyl)-9H-purin-6-amine
CID 71660551
9-benzyl-6-(benzylthio)-9H-purin-2-amine
CID 238161
9-Benzyl-6-phenylsulfanylpurine
CID 11347708

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-phenylsulfanyl-7H-purin-6-amine?
The IUPAC name of N-cyclohexyl-2-phenylsulfanyl-7H-purin-6-amine (CID 11450197) is N-cyclohexyl-2-phenylsulfanyl-7H-purin-6-amine.
What is the SMILES notation for N-cyclohexyl-2-phenylsulfanyl-7H-purin-6-amine?
The canonical SMILES for N-cyclohexyl-2-phenylsulfanyl-7H-purin-6-amine is c1ccc(Sc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1.
What is the InChIKey of N-cyclohexyl-2-phenylsulfanyl-7H-purin-6-amine?
The InChIKey is NFXCEGOWTIZWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5S/c1-3-7-12(8-4-1)20-16-14-15(19-11-18-14)21-17(22-16)23-13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H2,18,19,20,21,22).
What are the key properties of N-cyclohexyl-2-phenylsulfanyl-7H-purin-6-amine?
N-cyclohexyl-2-phenylsulfanyl-7H-purin-6-amine has a molecular weight of 325.44 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-phenylsulfanyl-7H-purin-6-amine is sourced from PubChem (CID 11450197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).