2-morpholin-4-yl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine

C19H23F3N6O — CID 172902096

IUPAC2-morpholin-4-yl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(N2CCCC(Nc3ccnc(N4CCOCC4)n3)C2)n1
InChIInChI=1S/C19H23F3N6O/c20-19(21,22)15-4-1-5-17(25-15)28-8-2-3-14(13-28)24-16-6-7-23-18(26-16)27-9-11-29-12-10-27/h1,4-7,14H,2-3,8-13H2,(H,23,24,26)
InChIKeyQKYZXLYUOAWPLA-UHFFFAOYSA-N
MW408.43 g/mol
LogP2.81
Rot. Bonds4

About 2-morpholin-4-yl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine

2-morpholin-4-yl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine (PubChem CID 172902096) has the molecular formula C19H23F3N6O and a molecular weight of 408.43 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine
PubChem CID172902096
Molecular FormulaC19H23F3N6O
Molecular Weight408.43 g/mol
Exact Mass408.19
IUPAC Name2-morpholin-4-yl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(N2CCCC(Nc3ccnc(N4CCOCC4)n3)C2)n1
InChIInChI=1S/C19H23F3N6O/c20-19(21,22)15-4-1-5-17(25-15)28-8-2-3-14(13-28)24-16-6-7-23-18(26-16)27-9-11-29-12-10-27/h1,4-7,14H,2-3,8-13H2,(H,23,24,26)
InChIKeyQKYZXLYUOAWPLA-UHFFFAOYSA-N
XLogP2.81
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-morpholin-4-yl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine (CID 172902096) is 2-morpholin-4-yl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-morpholin-4-yl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-morpholin-4-yl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine is FC(F)(F)c1cccc(N2CCCC(Nc3ccnc(N4CCOCC4)n3)C2)n1.
What is the InChIKey of 2-morpholin-4-yl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is QKYZXLYUOAWPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O/c20-19(21,22)15-4-1-5-17(25-15)28-8-2-3-14(13-28)24-16-6-7-23-18(26-16)27-9-11-29-12-10-27/h1,4-7,14H,2-3,8-13H2,(H,23,24,26).
What are the key properties of 2-morpholin-4-yl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine?
2-morpholin-4-yl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 408.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 172902096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).