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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Related Compounds

N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175649260
2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine
CID 172902099
2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]pyrimidin-4-amine
CID 172903852
2-morpholin-4-yl-N-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidin-4-amine
CID 172899981
2-morpholin-4-yl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]pyrimidin-4-amine
CID 172900711
N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172900765
2-morpholin-4-yl-N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpyrrolidin-3-yl)pyrimidin-4-amine
CID 175650740
4-morpholin-4-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171994408
N-(1-imidazo[1,2-a]pyrazin-8-ylpiperidin-3-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 172904241
2-morpholin-4-yl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidin-4-amine
CID 175649604
N-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172902467
morpholin-4-yl-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 155975820

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).