5,6-dimethyl-2-(methylsulfonylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

C13H19N3O2S2 — CID 62475269

IUPAC5,6-dimethyl-2-(methylsulfonylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CS(C)(=O)=O)nc2sc(C)c(C)c12
InChIInChI=1S/C13H19N3O2S2/c1-5-6-14-12-11-8(2)9(3)19-13(11)16-10(15-12)7-20(4,17)18/h5-7H2,1-4H3,(H,14,15,16)
InChIKeyDWMOVJJRALNBLW-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.67
Rot. Bonds5

About 5,6-dimethyl-2-(methylsulfonylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-2-(methylsulfonylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62475269) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 5,6-dimethyl-2-(methylsulfonylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-(methylsulfonylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62475269
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC Name5,6-dimethyl-2-(methylsulfonylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(CS(C)(=O)=O)nc2sc(C)c(C)c12
InChIInChI=1S/C13H19N3O2S2/c1-5-6-14-12-11-8(2)9(3)19-13(11)16-10(15-12)7-20(4,17)18/h5-7H2,1-4H3,(H,14,15,16)
InChIKeyDWMOVJJRALNBLW-UHFFFAOYSA-N
XLogP2.67
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol
CID 62194832
5,6-dimethyl-2-(2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485014
5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116633152
N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965462
N-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 91965470
N-[3-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 39998462
2-ethyl-N-(3-methoxypropyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965467
[5,6-dimethyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63659781
N-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 116633151
5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 60634136
N-ethyl-5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183200
2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 106815207

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(methylsulfonylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-(methylsulfonylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 62475269) is 5,6-dimethyl-2-(methylsulfonylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-(methylsulfonylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-(methylsulfonylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(CS(C)(=O)=O)nc2sc(C)c(C)c12.
What is the InChIKey of 5,6-dimethyl-2-(methylsulfonylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DWMOVJJRALNBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-5-6-14-12-11-8(2)9(3)19-13(11)16-10(15-12)7-20(4,17)18/h5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 5,6-dimethyl-2-(methylsulfonylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-(methylsulfonylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 313.45 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(methylsulfonylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62475269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).