N-methyl-6-pyrazin-2-ylsulfanyl-7H-purin-2-amine

C10H9N7S — CID 114788385

IUPACN-methyl-6-pyrazin-2-ylsulfanyl-7H-purin-2-amine
SMILESCNc1nc(Sc2cnccn2)c2[nH]cnc2n1
InChIInChI=1S/C10H9N7S/c1-11-10-16-8-7(14-5-15-8)9(17-10)18-6-4-12-2-3-13-6/h2-5H,1H3,(H2,11,14,15,16,17)
InChIKeyKZPPNVQHOHEDDJ-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.34
Rot. Bonds3

About N-methyl-6-pyrazin-2-ylsulfanyl-7H-purin-2-amine

N-methyl-6-pyrazin-2-ylsulfanyl-7H-purin-2-amine (PubChem CID 114788385) has the molecular formula C10H9N7S and a molecular weight of 259.30 g/mol. Its IUPAC name is N-methyl-6-pyrazin-2-ylsulfanyl-7H-purin-2-amine.

Molecular Properties

Compound NameN-methyl-6-pyrazin-2-ylsulfanyl-7H-purin-2-amine
PubChem CID114788385
Molecular FormulaC10H9N7S
Molecular Weight259.30 g/mol
Exact Mass259.06
IUPAC NameN-methyl-6-pyrazin-2-ylsulfanyl-7H-purin-2-amine
SMILESCNc1nc(Sc2cnccn2)c2[nH]cnc2n1
InChIInChI=1S/C10H9N7S/c1-11-10-16-8-7(14-5-15-8)9(17-10)18-6-4-12-2-3-13-6/h2-5H,1H3,(H2,11,14,15,16,17)
InChIKeyKZPPNVQHOHEDDJ-UHFFFAOYSA-N
XLogP1.34
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-6-pyrazin-2-ylsulfanyl-7H-purin-2-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

N-methyl-6-propan-2-ylsulfanyl-7H-purin-2-amine
CID 114788291
2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol
CID 114788274
3-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 114788345
6-(cyclopentylmethylsulfanyl)-N-methyl-7H-purin-2-amine
CID 114788381
6-[(3,5-dimethylphenyl)methylsulfanyl]-N-methyl-7H-purin-2-amine
CID 114788452
6-N,6-N-diethyl-2-N-methyl-7H-purine-2,6-diamine
CID 114783569
4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80889694
2-chloro-3-pyrazin-2-ylsulfanylpyrazine
CID 63380670
6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
CID 114784841
(6-methyl-4-pyrazin-2-ylsulfanylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336631
6-(1-methylimidazol-2-yl)sulfanyl-N-propyl-7H-purin-2-amine
CID 114788229
6-(azocan-1-yl)-N-methyl-7H-purin-2-amine
CID 114783608

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-pyrazin-2-ylsulfanyl-7H-purin-2-amine?
The IUPAC name of N-methyl-6-pyrazin-2-ylsulfanyl-7H-purin-2-amine (CID 114788385) is N-methyl-6-pyrazin-2-ylsulfanyl-7H-purin-2-amine.
What is the SMILES notation for N-methyl-6-pyrazin-2-ylsulfanyl-7H-purin-2-amine?
The canonical SMILES for N-methyl-6-pyrazin-2-ylsulfanyl-7H-purin-2-amine is CNc1nc(Sc2cnccn2)c2[nH]cnc2n1.
What is the InChIKey of N-methyl-6-pyrazin-2-ylsulfanyl-7H-purin-2-amine?
The InChIKey is KZPPNVQHOHEDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7S/c1-11-10-16-8-7(14-5-15-8)9(17-10)18-6-4-12-2-3-13-6/h2-5H,1H3,(H2,11,14,15,16,17).
What are the key properties of N-methyl-6-pyrazin-2-ylsulfanyl-7H-purin-2-amine?
N-methyl-6-pyrazin-2-ylsulfanyl-7H-purin-2-amine has a molecular weight of 259.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-pyrazin-2-ylsulfanyl-7H-purin-2-amine is sourced from PubChem (CID 114788385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).