4-(4-phenylmethoxypiperidin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

C20H20F3N3OS — CID 134353011

IUPAC4-(4-phenylmethoxypiperidin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
SMILESFC(F)(F)Cc1cc2c(N3CCC(OCc4ccccc4)CC3)ncnc2s1
InChIInChI=1S/C20H20F3N3OS/c21-20(22,23)11-16-10-17-18(24-13-25-19(17)28-16)26-8-6-15(7-9-26)27-12-14-4-2-1-3-5-14/h1-5,10,13,15H,6-9,11-12H2
InChIKeyFNYDKWBJWKYKPH-UHFFFAOYSA-N
MW407.46 g/mol
LogP4.98
Rot. Bonds5

About 4-(4-phenylmethoxypiperidin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

4-(4-phenylmethoxypiperidin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine (PubChem CID 134353011) has the molecular formula C20H20F3N3OS and a molecular weight of 407.46 g/mol. Its IUPAC name is 4-(4-phenylmethoxypiperidin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-phenylmethoxypiperidin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
PubChem CID134353011
Molecular FormulaC20H20F3N3OS
Molecular Weight407.46 g/mol
Exact Mass407.13
IUPAC Name4-(4-phenylmethoxypiperidin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
SMILESFC(F)(F)Cc1cc2c(N3CCC(OCc4ccccc4)CC3)ncnc2s1
InChIInChI=1S/C20H20F3N3OS/c21-20(22,23)11-16-10-17-18(24-13-25-19(17)28-16)26-8-6-15(7-9-26)27-12-14-4-2-1-3-5-14/h1-5,10,13,15H,6-9,11-12H2
InChIKeyFNYDKWBJWKYKPH-UHFFFAOYSA-N
XLogP4.98
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxypiperidin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-phenylmethoxypiperidin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine (CID 134353011) is 4-(4-phenylmethoxypiperidin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-phenylmethoxypiperidin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-phenylmethoxypiperidin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine is FC(F)(F)Cc1cc2c(N3CCC(OCc4ccccc4)CC3)ncnc2s1.
What is the InChIKey of 4-(4-phenylmethoxypiperidin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
The InChIKey is FNYDKWBJWKYKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3OS/c21-20(22,23)11-16-10-17-18(24-13-25-19(17)28-16)26-8-6-15(7-9-26)27-12-14-4-2-1-3-5-14/h1-5,10,13,15H,6-9,11-12H2.
What are the key properties of 4-(4-phenylmethoxypiperidin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
4-(4-phenylmethoxypiperidin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine has a molecular weight of 407.46 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxypiperidin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 134353011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).