5,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine

C13H19N3O2S2 — CID 79561295

IUPAC5,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCC(C)(C)S(C)(=O)=O)c2c1C
InChIInChI=1S/C13H19N3O2S2/c1-8-9(2)19-12-10(8)11(15-7-16-12)14-6-13(3,4)20(5,17)18/h7H,6H2,1-5H3,(H,14,15,16)
InChIKeyMNODQVNMTHIBIN-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.54
Rot. Bonds4

About 5,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 79561295) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 5,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID79561295
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC Name5,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCC(C)(C)S(C)(=O)=O)c2c1C
InChIInChI=1S/C13H19N3O2S2/c1-8-9(2)19-12-10(8)11(15-7-16-12)14-6-13(3,4)20(5,17)18/h7H,6H2,1-5H3,(H,14,15,16)
InChIKeyMNODQVNMTHIBIN-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine (CID 79561295) is 5,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NCC(C)(C)S(C)(=O)=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MNODQVNMTHIBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-8-9(2)19-12-10(8)11(15-7-16-12)14-6-13(3,4)20(5,17)18/h7H,6H2,1-5H3,(H,14,15,16).
What are the key properties of 5,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 313.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 79561295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).