N,N-dimethyl-8-methylsulfanyl-7H-purin-2-amine

C8H11N5S — CID 119091949

IUPACN,N-dimethyl-8-methylsulfanyl-7H-purin-2-amine
SMILESCSc1nc2nc(N(C)C)ncc2[nH]1
InChIInChI=1S/C8H11N5S/c1-13(2)7-9-4-5-6(11-7)12-8(10-5)14-3/h4H,1-3H3,(H,9,10,11,12)
InChIKeyNQWBMTVRXOHXGZ-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.14
Rot. Bonds2

About N,N-dimethyl-8-methylsulfanyl-7H-purin-2-amine

N,N-dimethyl-8-methylsulfanyl-7H-purin-2-amine (PubChem CID 119091949) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is N,N-dimethyl-8-methylsulfanyl-7H-purin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-8-methylsulfanyl-7H-purin-2-amine
PubChem CID119091949
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC NameN,N-dimethyl-8-methylsulfanyl-7H-purin-2-amine
SMILESCSc1nc2nc(N(C)C)ncc2[nH]1
InChIInChI=1S/C8H11N5S/c1-13(2)7-9-4-5-6(11-7)12-8(10-5)14-3/h4H,1-3H3,(H,9,10,11,12)
InChIKeyNQWBMTVRXOHXGZ-UHFFFAOYSA-N
XLogP1.14
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;8-methylsulfanyl-7H-purine-2-carboxylic acid
CID 145294968
N,N-dimethyl-8-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-7H-purin-2-amine
CID 167796040
8-methylsulfanyl-7H-purine;7H-purin-8-amine
CID 159657386
2-methylsulfanyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
CID 84676691
7-bromo-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine
CID 84704317
2-(dimethylamino)-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 135408571
N,N-dimethyl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine
CID 156571741
2-methylsulfanyl-3H-pyrimido[4,5-d]pyrimidin-4-one
CID 135441451
8-methylsulfanyl-7H-purin-6-amine
CID 935524
S-[2-(2-aminoethyl)-7H-purin-8-yl]thiohydroxylamine
CID 54210546
2,8-dimethyl-7H-purine;propane
CID 143020350
7-chloro-2-methylsulfanyl-1H-imidazo[4,5-b]pyridine
CID 84669145

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-methylsulfanyl-7H-purin-2-amine?
The IUPAC name of N,N-dimethyl-8-methylsulfanyl-7H-purin-2-amine (CID 119091949) is N,N-dimethyl-8-methylsulfanyl-7H-purin-2-amine.
What is the SMILES notation for N,N-dimethyl-8-methylsulfanyl-7H-purin-2-amine?
The canonical SMILES for N,N-dimethyl-8-methylsulfanyl-7H-purin-2-amine is CSc1nc2nc(N(C)C)ncc2[nH]1.
What is the InChIKey of N,N-dimethyl-8-methylsulfanyl-7H-purin-2-amine?
The InChIKey is NQWBMTVRXOHXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-13(2)7-9-4-5-6(11-7)12-8(10-5)14-3/h4H,1-3H3,(H,9,10,11,12).
What are the key properties of N,N-dimethyl-8-methylsulfanyl-7H-purin-2-amine?
N,N-dimethyl-8-methylsulfanyl-7H-purin-2-amine has a molecular weight of 209.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-methylsulfanyl-7H-purin-2-amine is sourced from PubChem (CID 119091949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).