9-butyl-8-(1,3-oxazol-2-ylsulfanyl)purin-6-amine

C12H14N6OS — CID 174590375

IUPAC9-butyl-8-(1,3-oxazol-2-ylsulfanyl)purin-6-amine
SMILESCCCCn1c(Sc2ncco2)nc2c(N)ncnc21
InChIInChI=1S/C12H14N6OS/c1-2-3-5-18-10-8(9(13)15-7-16-10)17-11(18)20-12-14-4-6-19-12/h4,6-7H,2-3,5H2,1H3,(H2,13,15,16)
InChIKeySHGWGILWUHHZAH-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.35
Rot. Bonds5

About 9-butyl-8-(1,3-oxazol-2-ylsulfanyl)purin-6-amine

9-butyl-8-(1,3-oxazol-2-ylsulfanyl)purin-6-amine (PubChem CID 174590375) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is 9-butyl-8-(1,3-oxazol-2-ylsulfanyl)purin-6-amine.

Molecular Properties

Compound Name9-butyl-8-(1,3-oxazol-2-ylsulfanyl)purin-6-amine
PubChem CID174590375
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC Name9-butyl-8-(1,3-oxazol-2-ylsulfanyl)purin-6-amine
SMILESCCCCn1c(Sc2ncco2)nc2c(N)ncnc21
InChIInChI=1S/C12H14N6OS/c1-2-3-5-18-10-8(9(13)15-7-16-10)17-11(18)20-12-14-4-6-19-12/h4,6-7H,2-3,5H2,1H3,(H2,13,15,16)
InChIKeySHGWGILWUHHZAH-UHFFFAOYSA-N
XLogP2.35
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

9-butyl-8-(1,3-oxazol-2-ylsulfanyl)purin-6-amine;4-chloro-1,3-benzothiazole
CID 174590374
8-bromo-9-butylpurin-6-amine
CID 11608719
(2R)-2-(6-amino-9-butylpurin-8-yl)sulfanylbutanoic acid
CID 97035787
9-butyl-8-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]purin-6-amine
CID 11850631
9-butyl-8-[(6-ethyl-3-fluoro-2,3-dihydro-1H-inden-5-yl)sulfanyl]purin-6-amine
CID 123446528
9-(4-aminobutyl)-8-[[6-(1,3-oxazol-2-yl)-1,3-benzodioxol-5-yl]sulfanyl]purin-6-amine
CID 121353024
CID 87274843
CID 87274843
9-(4-methylpent-3-enyl)-8-(1-pentylbenzimidazol-2-yl)sulfanylpurin-6-amine
CID 69338547
8-(2-iodo-5-methoxyphenyl)sulfanyl-9-[3-(propylamino)propyl]purin-6-amine
CID 16737867
6-[6-amino-8-[[6-(1,3-oxazol-2-yl)-2,3-dihydro-1H-inden-5-yl]sulfanyl]purin-9-yl]hexanamide
CID 67115801
9-(3-aminopropyl)-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-6-amine
CID 16737864
3-(6-amino-8-phenylsulfanylpurin-9-yl)propyl acetate
CID 11302324

Frequently Asked Questions

What is the IUPAC name of 9-butyl-8-(1,3-oxazol-2-ylsulfanyl)purin-6-amine?
The IUPAC name of 9-butyl-8-(1,3-oxazol-2-ylsulfanyl)purin-6-amine (CID 174590375) is 9-butyl-8-(1,3-oxazol-2-ylsulfanyl)purin-6-amine.
What is the SMILES notation for 9-butyl-8-(1,3-oxazol-2-ylsulfanyl)purin-6-amine?
The canonical SMILES for 9-butyl-8-(1,3-oxazol-2-ylsulfanyl)purin-6-amine is CCCCn1c(Sc2ncco2)nc2c(N)ncnc21.
What is the InChIKey of 9-butyl-8-(1,3-oxazol-2-ylsulfanyl)purin-6-amine?
The InChIKey is SHGWGILWUHHZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c1-2-3-5-18-10-8(9(13)15-7-16-10)17-11(18)20-12-14-4-6-19-12/h4,6-7H,2-3,5H2,1H3,(H2,13,15,16).
What are the key properties of 9-butyl-8-(1,3-oxazol-2-ylsulfanyl)purin-6-amine?
9-butyl-8-(1,3-oxazol-2-ylsulfanyl)purin-6-amine has a molecular weight of 290.35 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-8-(1,3-oxazol-2-ylsulfanyl)purin-6-amine is sourced from PubChem (CID 174590375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).