6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine

C10H14N6O2S — CID 114783973

IUPAC6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine
SMILESCNc1nc(N2CCS(=O)(=O)CC2)c2[nH]cnc2n1
InChIInChI=1S/C10H14N6O2S/c1-11-10-14-8-7(12-6-13-8)9(15-10)16-2-4-19(17,18)5-3-16/h6H,2-5H2,1H3,(H2,11,12,13,14,15)
InChIKeyFSMZRGHTNZSIRT-UHFFFAOYSA-N
MW282.33 g/mol
LogP-0.37
Rot. Bonds2

About 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine

6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine (PubChem CID 114783973) has the molecular formula C10H14N6O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine
PubChem CID114783973
Molecular FormulaC10H14N6O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine
SMILESCNc1nc(N2CCS(=O)(=O)CC2)c2[nH]cnc2n1
InChIInChI=1S/C10H14N6O2S/c1-11-10-14-8-7(12-6-13-8)9(15-10)16-2-4-19(17,18)5-3-16/h6H,2-5H2,1H3,(H2,11,12,13,14,15)
InChIKeyFSMZRGHTNZSIRT-UHFFFAOYSA-N
XLogP-0.37
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(azocan-1-yl)-N-methyl-7H-purin-2-amine
CID 114783608
3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol
CID 103358836
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-7H-purin-2-amine
CID 114785647
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methyl-7H-purin-2-amine
CID 114783590
2-[2-(methylamino)-7H-purin-6-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 114786070
N-ethyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-7H-purin-2-amine
CID 102887635
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine
CID 114785462
[6-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol
CID 102939050
2-N-methyl-6-N-(4-methylpiperazin-1-yl)-7H-purine-2,6-diamine
CID 114785912
2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine
CID 114783544
6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine
CID 114785656
1-[2-(ethylamino)-7H-purin-6-yl]-1,4-diazepan-5-one
CID 114785109

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine?
The IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine (CID 114783973) is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine.
What is the SMILES notation for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine?
The canonical SMILES for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine is CNc1nc(N2CCS(=O)(=O)CC2)c2[nH]cnc2n1.
What is the InChIKey of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine?
The InChIKey is FSMZRGHTNZSIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S/c1-11-10-14-8-7(12-6-13-8)9(15-10)16-2-4-19(17,18)5-3-16/h6H,2-5H2,1H3,(H2,11,12,13,14,15).
What are the key properties of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine?
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine has a molecular weight of 282.33 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine is sourced from PubChem (CID 114783973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).