6-ethyl-4-N-(1-ethylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine

C13H20N4S2 — CID 103330332

IUPAC6-ethyl-4-N-(1-ethylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCSCC(C)Nc1nc(N)nc2sc(CC)cc12
InChIInChI=1S/C13H20N4S2/c1-4-9-6-10-11(15-8(3)7-18-5-2)16-13(14)17-12(10)19-9/h6,8H,4-5,7H2,1-3H3,(H3,14,15,16,17)
InChIKeyPOHWUNIOQNGRLU-UHFFFAOYSA-N
MW296.47 g/mol
LogP3.39
Rot. Bonds6

About 6-ethyl-4-N-(1-ethylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine

6-ethyl-4-N-(1-ethylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330332) has the molecular formula C13H20N4S2 and a molecular weight of 296.47 g/mol. Its IUPAC name is 6-ethyl-4-N-(1-ethylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-4-N-(1-ethylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330332
Molecular FormulaC13H20N4S2
Molecular Weight296.47 g/mol
Exact Mass296.11
IUPAC Name6-ethyl-4-N-(1-ethylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCSCC(C)Nc1nc(N)nc2sc(CC)cc12
InChIInChI=1S/C13H20N4S2/c1-4-9-6-10-11(15-8(3)7-18-5-2)16-13(14)17-12(10)19-9/h6,8H,4-5,7H2,1-3H3,(H3,14,15,16,17)
InChIKeyPOHWUNIOQNGRLU-UHFFFAOYSA-N
XLogP3.39
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.47
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 103329690
4-N-[4-(dimethylamino)butan-2-yl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326193
methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103326065
methyl 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutanoate
CID 103326674
1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103324846
4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329333
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
6-ethyl-4-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334542
6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328125
4-N-cyclobutyl-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327219
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-(1-ethylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-4-N-(1-ethylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 103330332) is 6-ethyl-4-N-(1-ethylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-4-N-(1-ethylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-4-N-(1-ethylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine is CCSCC(C)Nc1nc(N)nc2sc(CC)cc12.
What is the InChIKey of 6-ethyl-4-N-(1-ethylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is POHWUNIOQNGRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S2/c1-4-9-6-10-11(15-8(3)7-18-5-2)16-13(14)17-12(10)19-9/h6,8H,4-5,7H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 6-ethyl-4-N-(1-ethylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine?
6-ethyl-4-N-(1-ethylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 296.47 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-N-(1-ethylsulfanylpropan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).