N-(1-propylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

C16H21F3N4S — CID 155564912

IUPACN-(1-propylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1
InChIInChI=1S/C16H21F3N4S/c1-2-5-23-6-3-11(4-7-23)22-14-13-8-12(9-16(17,18)19)24-15(13)21-10-20-14/h8,10-11H,2-7,9H2,1H3,(H,20,21,22)
InChIKeyQJMFRYJQORRYQW-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.08
Rot. Bonds5

About N-(1-propylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

N-(1-propylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 155564912) has the molecular formula C16H21F3N4S and a molecular weight of 358.43 g/mol. Its IUPAC name is N-(1-propylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-propylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID155564912
Molecular FormulaC16H21F3N4S
Molecular Weight358.43 g/mol
Exact Mass358.14
IUPAC NameN-(1-propylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCCN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1
InChIInChI=1S/C16H21F3N4S/c1-2-5-23-6-3-11(4-7-23)22-14-13-8-12(9-16(17,18)19)24-15(13)21-10-20-14/h8,10-11H,2-7,9H2,1H3,(H,20,21,22)
InChIKeyQJMFRYJQORRYQW-UHFFFAOYSA-N
XLogP4.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-propylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1-propylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 155564912) is N-(1-propylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-propylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-propylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is CCCN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1.
What is the InChIKey of N-(1-propylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QJMFRYJQORRYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4S/c1-2-5-23-6-3-11(4-7-23)22-14-13-8-12(9-16(17,18)19)24-15(13)21-10-20-14/h8,10-11H,2-7,9H2,1H3,(H,20,21,22).
What are the key properties of N-(1-propylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
N-(1-propylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 358.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155564912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).