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

C19H20F3N5S — CID 155520780

IUPACN-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)Cc1cc2c(NC3CCN(Cc4ccncc4)CC3)ncnc2s1
InChIInChI=1S/C19H20F3N5S/c20-19(21,22)10-15-9-16-17(24-12-25-18(16)28-15)26-14-3-7-27(8-4-14)11-13-1-5-23-6-2-13/h1-2,5-6,9,12,14H,3-4,7-8,10-11H2,(H,24,25,26)
InChIKeyDZMGBGPNEGYEAC-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.27
Rot. Bonds5

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

N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 155520780) has the molecular formula C19H20F3N5S and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID155520780
Molecular FormulaC19H20F3N5S
Molecular Weight407.47 g/mol
Exact Mass407.14
IUPAC NameN-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)Cc1cc2c(NC3CCN(Cc4ccncc4)CC3)ncnc2s1
InChIInChI=1S/C19H20F3N5S/c20-19(21,22)10-15-9-16-17(24-12-25-18(16)28-15)26-14-3-7-27(8-4-14)11-13-1-5-23-6-2-13/h1-2,5-6,9,12,14H,3-4,7-8,10-11H2,(H,24,25,26)
InChIKeyDZMGBGPNEGYEAC-UHFFFAOYSA-N
XLogP4.27
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (CID 155520780) is N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is FC(F)(F)Cc1cc2c(NC3CCN(Cc4ccncc4)CC3)ncnc2s1.
What is the InChIKey of N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DZMGBGPNEGYEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5S/c20-19(21,22)10-15-9-16-17(24-12-25-18(16)28-15)26-14-3-7-27(8-4-14)11-13-1-5-23-6-2-13/h1-2,5-6,9,12,14H,3-4,7-8,10-11H2,(H,24,25,26).
What are the key properties of N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine?
N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 407.47 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155520780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).