1-(5-methylfuran-2-yl)-1-(7H-purin-6-ylsulfanyl)propan-2-amine

C13H15N5OS — CID 62255029

IUPAC1-(5-methylfuran-2-yl)-1-(7H-purin-6-ylsulfanyl)propan-2-amine
SMILESCc1ccc(C(Sc2ncnc3nc[nH]c23)C(C)N)o1
InChIInChI=1S/C13H15N5OS/c1-7-3-4-9(19-7)11(8(2)14)20-13-10-12(16-5-15-10)17-6-18-13/h3-6,8,11H,14H2,1-2H3,(H,15,16,17,18)
InChIKeyMCOMHUWGYCSWIM-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.43
Rot. Bonds4

About 1-(5-methylfuran-2-yl)-1-(7H-purin-6-ylsulfanyl)propan-2-amine

1-(5-methylfuran-2-yl)-1-(7H-purin-6-ylsulfanyl)propan-2-amine (PubChem CID 62255029) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-1-(7H-purin-6-ylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-1-(7H-purin-6-ylsulfanyl)propan-2-amine
PubChem CID62255029
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name1-(5-methylfuran-2-yl)-1-(7H-purin-6-ylsulfanyl)propan-2-amine
SMILESCc1ccc(C(Sc2ncnc3nc[nH]c23)C(C)N)o1
InChIInChI=1S/C13H15N5OS/c1-7-3-4-9(19-7)11(8(2)14)20-13-10-12(16-5-15-10)17-6-18-13/h3-6,8,11H,14H2,1-2H3,(H,15,16,17,18)
InChIKeyMCOMHUWGYCSWIM-UHFFFAOYSA-N
XLogP2.43
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-1-(7H-purin-6-ylsulfanyl)propan-2-amine
CID 62253975
1-(7H-purin-6-ylsulfanyl)-1-pyridin-2-ylbutan-2-amine
CID 62253603
5-phenyl-2-[(1S)-1-(7H-purin-6-ylsulfanyl)ethyl]-1,3-oxazole
CID 95775864
(2R)-2-(7H-purin-6-ylsulfanyl)propanoic acid
CID 7644851
(2R)-2-(7H-purin-6-ylsulfanyl)propanoate
CID 7644850
diethyl 2-(7H-purin-6-ylsulfanyl)propanedioate
CID 134066807
2-(2-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 62253055
1-(7H-purin-6-ylsulfanyl)-1-thiophen-3-ylbutan-2-amine
CID 62253229
6-(4-propan-2-yloxyphenyl)sulfanyl-7H-purine
CID 140979996
4-methyl-3-(7H-purin-6-ylsulfanyl)aniline
CID 62588886
(1R)-1-[4-(7H-purin-6-ylsulfanyl)phenyl]ethanol
CID 78951419
(2S)-N-(2-propan-2-ylpyrazol-3-yl)-2-(7H-purin-6-ylsulfanyl)propanamide
CID 124566871

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-1-(7H-purin-6-ylsulfanyl)propan-2-amine?
The IUPAC name of 1-(5-methylfuran-2-yl)-1-(7H-purin-6-ylsulfanyl)propan-2-amine (CID 62255029) is 1-(5-methylfuran-2-yl)-1-(7H-purin-6-ylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-1-(7H-purin-6-ylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-1-(7H-purin-6-ylsulfanyl)propan-2-amine is Cc1ccc(C(Sc2ncnc3nc[nH]c23)C(C)N)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-1-(7H-purin-6-ylsulfanyl)propan-2-amine?
The InChIKey is MCOMHUWGYCSWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-7-3-4-9(19-7)11(8(2)14)20-13-10-12(16-5-15-10)17-6-18-13/h3-6,8,11H,14H2,1-2H3,(H,15,16,17,18).
What are the key properties of 1-(5-methylfuran-2-yl)-1-(7H-purin-6-ylsulfanyl)propan-2-amine?
1-(5-methylfuran-2-yl)-1-(7H-purin-6-ylsulfanyl)propan-2-amine has a molecular weight of 289.36 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-1-(7H-purin-6-ylsulfanyl)propan-2-amine is sourced from PubChem (CID 62255029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).