2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine

C16H23N3S — CID 80611795

IUPAC2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(C2CCCCCCC2)nc2sccc12
InChIInChI=1S/C16H23N3S/c1-2-17-15-13-10-11-20-16(13)19-14(18-15)12-8-6-4-3-5-7-9-12/h10-12H,2-9H2,1H3,(H,17,18,19)
InChIKeyHTNYDMZBQBRDFX-UHFFFAOYSA-N
MW289.45 g/mol
LogP4.95
Rot. Bonds3

About 2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine

2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 80611795) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID80611795
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(C2CCCCCCC2)nc2sccc12
InChIInChI=1S/C16H23N3S/c1-2-17-15-13-10-11-20-16(13)19-14(18-15)12-8-6-4-3-5-7-9-12/h10-12H,2-9H2,1H3,(H,17,18,19)
InChIKeyHTNYDMZBQBRDFX-UHFFFAOYSA-N
XLogP4.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62188847
2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 80610788
2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 55044530
2-(1,4-dithian-2-yl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 79966652
2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 65391653
2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62182349
N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555
[2-(3-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62252332
2-N-ethyl-4-N-(2-methylcycloheptyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328619
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cycloheptan-1-ol
CID 103329709
N-ethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62178585
2-ethyl-2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103327286

Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine (CID 80611795) is 2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine is CCNc1nc(C2CCCCCCC2)nc2sccc12.
What is the InChIKey of 2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HTNYDMZBQBRDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-2-17-15-13-10-11-20-16(13)19-14(18-15)12-8-6-4-3-5-7-9-12/h10-12H,2-9H2,1H3,(H,17,18,19).
What are the key properties of 2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine?
2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 289.45 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 80611795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).