6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine

C11H16N4OS2 — CID 103330088

IUPAC6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCCS(C)=O)nc(N)nc2s1
InChIInChI=1S/C11H16N4OS2/c1-3-7-6-8-9(13-4-5-18(2)16)14-11(12)15-10(8)17-7/h6H,3-5H2,1-2H3,(H3,12,13,14,15)
InChIKeyXXVKWNRKLFBJGX-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.63
Rot. Bonds5

About 6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine

6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330088) has the molecular formula C11H16N4OS2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330088
Molecular FormulaC11H16N4OS2
Molecular Weight284.41 g/mol
Exact Mass284.08
IUPAC Name6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCc1cc2c(NCCS(C)=O)nc(N)nc2s1
InChIInChI=1S/C11H16N4OS2/c1-3-7-6-8-9(13-4-5-18(2)16)14-11(12)15-10(8)17-7/h6H,3-5H2,1-2H3,(H3,12,13,14,15)
InChIKeyXXVKWNRKLFBJGX-UHFFFAOYSA-N
XLogP1.63
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328125
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343217
N-[3-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106332303
6-ethyl-4-N-(5-methylhexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329299
4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466671
4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329333
6-ethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106424249
1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103324846
6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324414
6-ethyl-4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327914
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324239
6-ethyl-4-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329267

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103330088) is 6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCc1cc2c(NCCS(C)=O)nc(N)nc2s1.
What is the InChIKey of 6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is XXVKWNRKLFBJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS2/c1-3-7-6-8-9(13-4-5-18(2)16)14-11(12)15-10(8)17-7/h6H,3-5H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 284.41 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).