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

C13H19N3O2S2 — CID 75433546

IUPAC2-ethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCC(C)(C)S(C)(=O)=O)c2ccsc2n1
InChIInChI=1S/C13H19N3O2S2/c1-5-10-15-11(9-6-7-19-12(9)16-10)14-8-13(2,3)20(4,17)18/h6-7H,5,8H2,1-4H3,(H,14,15,16)
InChIKeyVRZLFANYEZXCKM-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.49
Rot. Bonds5

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

2-ethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 75433546) has the molecular formula C13H19N3O2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 2-ethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID75433546
Molecular FormulaC13H19N3O2S2
Molecular Weight313.45 g/mol
Exact Mass313.09
IUPAC Name2-ethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCC(C)(C)S(C)(=O)=O)c2ccsc2n1
InChIInChI=1S/C13H19N3O2S2/c1-5-10-15-11(9-6-7-19-12(9)16-10)14-8-13(2,3)20(4,17)18/h6-7H,5,8H2,1-4H3,(H,14,15,16)
InChIKeyVRZLFANYEZXCKM-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine (CID 75433546) is 2-ethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine is CCc1nc(NCC(C)(C)S(C)(=O)=O)c2ccsc2n1.
What is the InChIKey of 2-ethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VRZLFANYEZXCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S2/c1-5-10-15-11(9-6-7-19-12(9)16-10)14-8-13(2,3)20(4,17)18/h6-7H,5,8H2,1-4H3,(H,14,15,16).
What are the key properties of 2-ethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 313.45 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 75433546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).