6-ethyl-4-(2-ethylhexoxy)thieno[2,3-d]pyrimidin-2-amine

C16H25N3OS — CID 103331283

IUPAC6-ethyl-4-(2-ethylhexoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCCCCC(CC)COc1nc(N)nc2sc(CC)cc12
InChIInChI=1S/C16H25N3OS/c1-4-7-8-11(5-2)10-20-14-13-9-12(6-3)21-15(13)19-16(17)18-14/h9,11H,4-8,10H2,1-3H3,(H2,17,18,19)
InChIKeyKWNJZFDOOFQNSI-UHFFFAOYSA-N
MW307.46 g/mol
LogP4.43
Rot. Bonds8

About 6-ethyl-4-(2-ethylhexoxy)thieno[2,3-d]pyrimidin-2-amine

6-ethyl-4-(2-ethylhexoxy)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331283) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 6-ethyl-4-(2-ethylhexoxy)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-ethyl-4-(2-ethylhexoxy)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103331283
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name6-ethyl-4-(2-ethylhexoxy)thieno[2,3-d]pyrimidin-2-amine
SMILESCCCCC(CC)COc1nc(N)nc2sc(CC)cc12
InChIInChI=1S/C16H25N3OS/c1-4-7-8-11(5-2)10-20-14-13-9-12(6-3)21-15(13)19-16(17)18-14/h9,11H,4-8,10H2,1-3H3,(H2,17,18,19)
InChIKeyKWNJZFDOOFQNSI-UHFFFAOYSA-N
XLogP4.43
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxypropan-1-ol
CID 103331610
2-(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)oxyethanol
CID 103331574
6-ethyl-4-(thiophen-2-ylmethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332219
4-(3,5-dimethylphenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331829
4-heptoxy-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331259
6-(2-ethylhexoxy)-3,5-difluoropyridin-2-amine
CID 114072964
4,8-bis(2-ethylhexoxy)thieno[2,3-f][1]benzothiole-2,6-diamine
CID 123611737
6-ethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-amine
CID 103331942
6-ethyl-4-(3-methoxyphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331770
6-(2-ethylhexoxy)-2,5-dimethylpyrimidin-4-amine
CID 80861981
4-(2-chloro-4-fluorophenoxy)-6-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103331676
[1-(2-ethylhexoxy)isoquinolin-3-yl]methanol
CID 63445899

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(2-ethylhexoxy)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-ethyl-4-(2-ethylhexoxy)thieno[2,3-d]pyrimidin-2-amine (CID 103331283) is 6-ethyl-4-(2-ethylhexoxy)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-ethyl-4-(2-ethylhexoxy)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-ethyl-4-(2-ethylhexoxy)thieno[2,3-d]pyrimidin-2-amine is CCCCC(CC)COc1nc(N)nc2sc(CC)cc12.
What is the InChIKey of 6-ethyl-4-(2-ethylhexoxy)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is KWNJZFDOOFQNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-4-7-8-11(5-2)10-20-14-13-9-12(6-3)21-15(13)19-16(17)18-14/h9,11H,4-8,10H2,1-3H3,(H2,17,18,19).
What are the key properties of 6-ethyl-4-(2-ethylhexoxy)thieno[2,3-d]pyrimidin-2-amine?
6-ethyl-4-(2-ethylhexoxy)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 307.46 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-(2-ethylhexoxy)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).