ethane;N-methylsulfanyl-7H-purin-6-amine

C8H13N5S — CID 144670169

IUPACethane;N-methylsulfanyl-7H-purin-6-amine
SMILESCC.CSNc1ncnc2nc[nH]c12
InChIInChI=1S/C6H7N5S.C2H6/c1-12-11-6-4-5(8-2-7-4)9-3-10-6;1-2/h2-3H,1H3,(H2,7,8,9,10,11);1-2H3
InChIKeyPBKQGGMEVVKYEO-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.07
Rot. Bonds2

About ethane;N-methylsulfanyl-7H-purin-6-amine

ethane;N-methylsulfanyl-7H-purin-6-amine (PubChem CID 144670169) has the molecular formula C8H13N5S and a molecular weight of 211.29 g/mol. Its IUPAC name is ethane;N-methylsulfanyl-7H-purin-6-amine.

Molecular Properties

Compound Nameethane;N-methylsulfanyl-7H-purin-6-amine
PubChem CID144670169
Molecular FormulaC8H13N5S
Molecular Weight211.29 g/mol
Exact Mass211.09
IUPAC Nameethane;N-methylsulfanyl-7H-purin-6-amine
SMILESCC.CSNc1ncnc2nc[nH]c12
InChIInChI=1S/C6H7N5S.C2H6/c1-12-11-6-4-5(8-2-7-4)9-3-10-6;1-2/h2-3H,1H3,(H2,7,8,9,10,11);1-2H3
InChIKeyPBKQGGMEVVKYEO-UHFFFAOYSA-N
XLogP2.07
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
N-(7H-purin-6-yl)hydroxylamine
CID 21876
N-(trideuteriomethyl)-7H-purin-6-amine
CID 169443443
N-[(1-methylsulfanylcyclopropyl)methyl]-7H-purin-6-amine
CID 107269112
N-butyl-7H-purin-6-amine;ethane
CID 154667457
(7H-purin-6-ylamino)methanol
CID 86209273
N-ethynyl-7H-purin-6-amine
CID 149150295
N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine
CID 131020883
N-but-3-yn-2-yl-7H-purin-6-amine
CID 114417890
N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine
CID 61223491
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
2-methyl-N-(7H-purin-6-yl)prop-2-enamide
CID 142419518

Frequently Asked Questions

What is the IUPAC name of ethane;N-methylsulfanyl-7H-purin-6-amine?
The IUPAC name of ethane;N-methylsulfanyl-7H-purin-6-amine (CID 144670169) is ethane;N-methylsulfanyl-7H-purin-6-amine.
What is the SMILES notation for ethane;N-methylsulfanyl-7H-purin-6-amine?
The canonical SMILES for ethane;N-methylsulfanyl-7H-purin-6-amine is CC.CSNc1ncnc2nc[nH]c12.
What is the InChIKey of ethane;N-methylsulfanyl-7H-purin-6-amine?
The InChIKey is PBKQGGMEVVKYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S.C2H6/c1-12-11-6-4-5(8-2-7-4)9-3-10-6;1-2/h2-3H,1H3,(H2,7,8,9,10,11);1-2H3.
What are the key properties of ethane;N-methylsulfanyl-7H-purin-6-amine?
ethane;N-methylsulfanyl-7H-purin-6-amine has a molecular weight of 211.29 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methylsulfanyl-7H-purin-6-amine is sourced from PubChem (CID 144670169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).