N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine

C10H15N5OS — CID 113260882

IUPACN-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine
SMILESCC(CCS(C)=O)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C10H15N5OS/c1-7(3-4-17(2)16)15-10-8-9(12-5-11-8)13-6-14-10/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyNNECRIIDHSXGPT-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.92
Rot. Bonds5

About N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine

N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine (PubChem CID 113260882) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine
PubChem CID113260882
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC NameN-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine
SMILESCC(CCS(C)=O)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C10H15N5OS/c1-7(3-4-17(2)16)15-10-8-9(12-5-11-8)13-6-14-10/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyNNECRIIDHSXGPT-UHFFFAOYSA-N
XLogP0.92
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine
CID 40514758
ethyl 4-(7H-purin-6-ylamino)pentanoate
CID 133407098
1-N,1-N-diethyl-4-N-(7H-purin-6-yl)pentane-1,4-diamine;dihydrochloride
CID 131875514
3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one
CID 115715184
N-hexan-3-yl-7H-purin-6-amine
CID 62045757
N-(3,4-dimethylheptan-2-yl)-7H-purin-6-amine
CID 123305094
N-but-3-yn-2-yl-7H-purin-6-amine
CID 114417890
3-methyl-2-(7H-purin-6-ylamino)butanoic acid
CID 4136995
N-[(1R)-1-phenylethyl]-7H-purin-6-amine
CID 2155048
(2S)-2-chloro-N-(7H-purin-6-yl)propanamide
CID 41214843
(2S)-2-(7H-purin-6-ylamino)hexanoic acid;hydrochloride
CID 167991552
2-methyl-N-(7H-purin-6-yl)propane-1-sulfonamide
CID 20832793

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine?
The IUPAC name of N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine (CID 113260882) is N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine.
What is the SMILES notation for N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine?
The canonical SMILES for N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine is CC(CCS(C)=O)Nc1ncnc2nc[nH]c12.
What is the InChIKey of N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine?
The InChIKey is NNECRIIDHSXGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-7(3-4-17(2)16)15-10-8-9(12-5-11-8)13-6-14-10/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine?
N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine has a molecular weight of 253.33 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfinylbutan-2-yl)-7H-purin-6-amine is sourced from PubChem (CID 113260882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).