2-(2-methylbutylsulfanyl)-7H-purin-6-amine

C10H15N5S — CID 68896355

IUPAC2-(2-methylbutylsulfanyl)-7H-purin-6-amine
SMILESCCC(C)CSc1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C10H15N5S/c1-3-6(2)4-16-10-14-8(11)7-9(15-10)13-5-12-7/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyGOGJOXQCCUMMKL-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.07
Rot. Bonds4

About 2-(2-methylbutylsulfanyl)-7H-purin-6-amine

2-(2-methylbutylsulfanyl)-7H-purin-6-amine (PubChem CID 68896355) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-(2-methylbutylsulfanyl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-(2-methylbutylsulfanyl)-7H-purin-6-amine
PubChem CID68896355
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name2-(2-methylbutylsulfanyl)-7H-purin-6-amine
SMILESCCC(C)CSc1nc(N)c2[nH]cnc2n1
InChIInChI=1S/C10H15N5S/c1-3-6(2)4-16-10-14-8(11)7-9(15-10)13-5-12-7/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyGOGJOXQCCUMMKL-UHFFFAOYSA-N
XLogP2.07
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-propan-2-ylsulfanyl-7H-purin-6-amine
CID 23562726
2-[(6-amino-7H-purin-2-yl)sulfanyl]acetic acid
CID 5200989
2-ethyl-7H-purin-6-amine
CID 19795383
2-phenylsulfanyl-7H-purin-6-amine
CID 69289751
ethane;2-methylbutan-1-amine;7H-purin-6-amine
CID 144555996
2-(2-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765019
2-(1-ethoxypropyl)-7H-purin-6-amine
CID 174819126
2-octyl-7H-purin-6-amine
CID 139890933
2,4-dichloro-6-(2-methylbutylsulfanyl)-1,3,5-triazine
CID 107751258
2-tert-butyl-7H-purin-6-amine
CID 21493394
ethyl 6-amino-7H-purine-2-carboxylate
CID 131259142
chloromercury;2-methoxy-7H-purin-6-amine
CID 69287233

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutylsulfanyl)-7H-purin-6-amine?
The IUPAC name of 2-(2-methylbutylsulfanyl)-7H-purin-6-amine (CID 68896355) is 2-(2-methylbutylsulfanyl)-7H-purin-6-amine.
What is the SMILES notation for 2-(2-methylbutylsulfanyl)-7H-purin-6-amine?
The canonical SMILES for 2-(2-methylbutylsulfanyl)-7H-purin-6-amine is CCC(C)CSc1nc(N)c2[nH]cnc2n1.
What is the InChIKey of 2-(2-methylbutylsulfanyl)-7H-purin-6-amine?
The InChIKey is GOGJOXQCCUMMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-3-6(2)4-16-10-14-8(11)7-9(15-10)13-5-12-7/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14,15).
What are the key properties of 2-(2-methylbutylsulfanyl)-7H-purin-6-amine?
2-(2-methylbutylsulfanyl)-7H-purin-6-amine has a molecular weight of 237.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutylsulfanyl)-7H-purin-6-amine is sourced from PubChem (CID 68896355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).