2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine

C19H23F3N6O — CID 172902099

IUPAC2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(N2CCCC(Nc3ccnc(N4CCOCC4)n3)C2)nc1
InChIInChI=1S/C19H23F3N6O/c20-19(21,22)14-3-4-17(24-12-14)28-7-1-2-15(13-28)25-16-5-6-23-18(26-16)27-8-10-29-11-9-27/h3-6,12,15H,1-2,7-11,13H2,(H,23,25,26)
InChIKeyLVGCPGUUAAYXFW-UHFFFAOYSA-N
MW408.43 g/mol
LogP2.81
Rot. Bonds4

About 2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine

2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine (PubChem CID 172902099) has the molecular formula C19H23F3N6O and a molecular weight of 408.43 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine
PubChem CID172902099
Molecular FormulaC19H23F3N6O
Molecular Weight408.43 g/mol
Exact Mass408.19
IUPAC Name2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccc(N2CCCC(Nc3ccnc(N4CCOCC4)n3)C2)nc1
InChIInChI=1S/C19H23F3N6O/c20-19(21,22)14-3-4-17(24-12-14)28-7-1-2-15(13-28)25-16-5-6-23-18(26-16)27-8-10-29-11-9-27/h3-6,12,15H,1-2,7-11,13H2,(H,23,25,26)
InChIKeyLVGCPGUUAAYXFW-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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Related Compounds

2-morpholin-4-yl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine
CID 172902096
2-morpholin-4-yl-N-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidin-4-amine
CID 172899981
N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900765
N-methyl-2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172901831
N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175649260
2-morpholin-4-yl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-amine
CID 172900711
2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]pyrimidin-4-amine
CID 172903852
2-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 95868283
N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172891609
N-(1-imidazo[1,2-a]pyrazin-8-ylpiperidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 172904241
N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175648592
2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-3-yl)pyrimidin-4-amine
CID 175650740

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine (CID 172902099) is 2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine is FC(F)(F)c1ccc(N2CCCC(Nc3ccnc(N4CCOCC4)n3)C2)nc1.
What is the InChIKey of 2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is LVGCPGUUAAYXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O/c20-19(21,22)14-3-4-17(24-12-14)28-7-1-2-15(13-28)25-16-5-6-23-18(26-16)27-8-10-29-11-9-27/h3-6,12,15H,1-2,7-11,13H2,(H,23,25,26).
What are the key properties of 2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine?
2-morpholin-4-yl-N-[1-[5-(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-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 172902099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).