6-(4-morpholin-4-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

C21H26F3N5O — CID 117085892

IUPAC6-(4-morpholin-4-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(CNc2cc(N3CCC(N4CCOCC4)CC3)ncn2)c1
InChIInChI=1S/C21H26F3N5O/c22-21(23,24)17-3-1-2-16(12-17)14-25-19-13-20(27-15-26-19)29-6-4-18(5-7-29)28-8-10-30-11-9-28/h1-3,12-13,15,18H,4-11,14H2,(H,25,26,27)
InChIKeyWBDZFLRJRVWEOC-UHFFFAOYSA-N
MW421.47 g/mol
LogP3.41
Rot. Bonds5

About 6-(4-morpholin-4-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine

6-(4-morpholin-4-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 117085892) has the molecular formula C21H26F3N5O and a molecular weight of 421.47 g/mol. Its IUPAC name is 6-(4-morpholin-4-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-morpholin-4-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID117085892
Molecular FormulaC21H26F3N5O
Molecular Weight421.47 g/mol
Exact Mass421.21
IUPAC Name6-(4-morpholin-4-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(CNc2cc(N3CCC(N4CCOCC4)CC3)ncn2)c1
InChIInChI=1S/C21H26F3N5O/c22-21(23,24)17-3-1-2-16(12-17)14-25-19-13-20(27-15-26-19)29-6-4-18(5-7-29)28-8-10-30-11-9-28/h1-3,12-13,15,18H,4-11,14H2,(H,25,26,27)
InChIKeyWBDZFLRJRVWEOC-UHFFFAOYSA-N
XLogP3.41
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-morpholin-4-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-(4-morpholin-4-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine (CID 117085892) is 6-(4-morpholin-4-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-morpholin-4-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(4-morpholin-4-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is FC(F)(F)c1cccc(CNc2cc(N3CCC(N4CCOCC4)CC3)ncn2)c1.
What is the InChIKey of 6-(4-morpholin-4-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is WBDZFLRJRVWEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N5O/c22-21(23,24)17-3-1-2-16(12-17)14-25-19-13-20(27-15-26-19)29-6-4-18(5-7-29)28-8-10-30-11-9-28/h1-3,12-13,15,18H,4-11,14H2,(H,25,26,27).
What are the key properties of 6-(4-morpholin-4-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine?
6-(4-morpholin-4-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 421.47 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-morpholin-4-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 117085892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).