N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-7H-purin-6-amine

C11H13N7S — CID 39826375

IUPACN-[2-(1-methylimidazol-2-yl)sulfanylethyl]-7H-purin-6-amine
SMILESCn1ccnc1SCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C11H13N7S/c1-18-4-2-13-11(18)19-5-3-12-9-8-10(15-6-14-8)17-7-16-9/h2,4,6-7H,3,5H2,1H3,(H2,12,14,15,16,17)
InChIKeyJZQROHPJXUQWAV-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.29
Rot. Bonds5

About N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-7H-purin-6-amine

N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-7H-purin-6-amine (PubChem CID 39826375) has the molecular formula C11H13N7S and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)sulfanylethyl]-7H-purin-6-amine
PubChem CID39826375
Molecular FormulaC11H13N7S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC NameN-[2-(1-methylimidazol-2-yl)sulfanylethyl]-7H-purin-6-amine
SMILESCn1ccnc1SCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C11H13N7S/c1-18-4-2-13-11(18)19-5-3-12-9-8-10(15-6-14-8)17-7-16-9/h2,4,6-7H,3,5H2,1H3,(H2,12,14,15,16,17)
InChIKeyJZQROHPJXUQWAV-UHFFFAOYSA-N
XLogP1.29
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(triazol-1-yl)propyl]-7H-purin-6-amine
CID 113412966
(7H-purin-6-ylamino)methanol
CID 86209273
N-butyl-7H-purin-6-amine;ethane
CID 154667457
2-methyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]propan-2-amine
CID 61385863
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
N-(2-benzylsulfanylethyl)-7H-purin-6-amine
CID 47174477
N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 60919261
3,3-dimethyl-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]butan-1-amine
CID 60697535
N-ethyl-2-(1-methylimidazol-2-yl)sulfanylethanamine;hydrochloride
CID 86262337
N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine
CID 49432029
2,2-dimethyl-4-(7H-purin-6-ylamino)butanoic acid
CID 114285512
iodomethane;N-methyl-7H-purin-6-amine
CID 142609463

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-7H-purin-6-amine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-7H-purin-6-amine (CID 39826375) is N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-7H-purin-6-amine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-7H-purin-6-amine is Cn1ccnc1SCCNc1ncnc2nc[nH]c12.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-7H-purin-6-amine?
The InChIKey is JZQROHPJXUQWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7S/c1-18-4-2-13-11(18)19-5-3-12-9-8-10(15-6-14-8)17-7-16-9/h2,4,6-7H,3,5H2,1H3,(H2,12,14,15,16,17).
What are the key properties of N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-7H-purin-6-amine?
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-7H-purin-6-amine has a molecular weight of 275.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-7H-purin-6-amine is sourced from PubChem (CID 39826375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).