N-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine

C13H19N3O2S2 — CID 116633151

IUPACN-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(C(C)S(C)(=O)=O)nc2sc(C)c(C)c12
InChIInChI=1S/C13H19N3O2S2/c1-6-14-12-10-7(2)8(3)19-13(10)16-11(15-12)9(4)20(5,17)18/h9H,6H2,1-5H3,(H,14,15,16)
InChIKeyYGBNSZJMALZPSS-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.85
Rot. Bonds4

About N-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine

N-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 116633151) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is N-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID116633151
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC NameN-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(C(C)S(C)(=O)=O)nc2sc(C)c(C)c12
InChIInChI=1S/C13H19N3O2S2/c1-6-14-12-10-7(2)8(3)19-13(10)16-11(15-12)9(4)20(5,17)18/h9H,6H2,1-5H3,(H,14,15,16)
InChIKeyYGBNSZJMALZPSS-UHFFFAOYSA-N
XLogP2.85
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116633152
N-ethyl-5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183200
5,6-dimethyl-2-(methylsulfonylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62475269
N-ethyl-2-(1-methylsulfonylethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116633288
[2-(1-ethoxyethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 64533422
2-(2-ethoxyethyl)-N-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 106815207
2-chloro-5,6-dimethyl-N-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066592
N-[3-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 39998462
N-ethyl-5,6-dimethyl-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 62189376
N-ethyl-5,6-dimethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 104806560
N-ethyl-5,6-dimethyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 55044818
5,6-dimethyl-2-(2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485014

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 116633151) is N-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine is CCNc1nc(C(C)S(C)(=O)=O)nc2sc(C)c(C)c12.
What is the InChIKey of N-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YGBNSZJMALZPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-6-14-12-10-7(2)8(3)19-13(10)16-11(15-12)9(4)20(5,17)18/h9H,6H2,1-5H3,(H,14,15,16).
What are the key properties of N-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine?
N-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 313.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 116633151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).