N-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

C14H17F3N4S — CID 90404503

IUPACN-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)Cc1cc2c(NCC3CCNCC3)ncnc2s1
InChIInChI=1S/C14H17F3N4S/c15-14(16,17)6-10-5-11-12(20-8-21-13(11)22-10)19-7-9-1-3-18-4-2-9/h5,8-9,18H,1-4,6-7H2,(H,19,20,21)
InChIKeyOWFPWALRMZBRMX-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.21
Rot. Bonds4

About N-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

N-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 90404503) has the molecular formula C14H17F3N4S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID90404503
Molecular FormulaC14H17F3N4S
Molecular Weight330.38 g/mol
Exact Mass330.11
IUPAC NameN-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)Cc1cc2c(NCC3CCNCC3)ncnc2s1
InChIInChI=1S/C14H17F3N4S/c15-14(16,17)6-10-5-11-12(20-8-21-13(11)22-10)19-7-9-1-3-18-4-2-9/h5,8-9,18H,1-4,6-7H2,(H,19,20,21)
InChIKeyOWFPWALRMZBRMX-UHFFFAOYSA-N
XLogP3.21
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 90404503) is N-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is FC(F)(F)Cc1cc2c(NCC3CCNCC3)ncnc2s1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OWFPWALRMZBRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4S/c15-14(16,17)6-10-5-11-12(20-8-21-13(11)22-10)19-7-9-1-3-18-4-2-9/h5,8-9,18H,1-4,6-7H2,(H,19,20,21).
What are the key properties of N-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
N-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 330.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 90404503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).