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

C17H25N3S — CID 80610788

IUPAC2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(C2CCCCCCC2)nc2sccc12
InChIInChI=1S/C17H25N3S/c1-2-11-18-16-14-10-12-21-17(14)20-15(19-16)13-8-6-4-3-5-7-9-13/h10,12-13H,2-9,11H2,1H3,(H,18,19,20)
InChIKeyFLXWGXLNTZXNAA-UHFFFAOYSA-N
MW303.48 g/mol
LogP5.34
Rot. Bonds4

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

2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 80610788) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is 2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID80610788
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC Name2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(C2CCCCCCC2)nc2sccc12
InChIInChI=1S/C17H25N3S/c1-2-11-18-16-14-10-12-21-17(14)20-15(19-16)13-8-6-4-3-5-7-9-13/h10,12-13H,2-9,11H2,1H3,(H,18,19,20)
InChIKeyFLXWGXLNTZXNAA-UHFFFAOYSA-N
XLogP5.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.48
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 80611795
2-cyclopropyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62188847
2-cyclohexyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 55044530
2-cyclohexyl-6-ethyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63614822
4-N-(2-cyclobutylethyl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330068
4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324043
2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184614
4-N-(3-ethylpentan-3-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328432
2-cyclohexyl-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63485968
2-(4,4-dimethylcyclohexyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 65391653
2-[[cyclopropyl(propyl)amino]methyl]-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184127
4-N-pentyl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324258

Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 80610788) is 2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(C2CCCCCCC2)nc2sccc12.
What is the InChIKey of 2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FLXWGXLNTZXNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-2-11-18-16-14-10-12-21-17(14)20-15(19-16)13-8-6-4-3-5-7-9-13/h10,12-13H,2-9,11H2,1H3,(H,18,19,20).
What are the key properties of 2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine?
2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.48 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 80610788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).