4-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

C20H18F3N5O — CID 71454942

IUPAC4-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(Nc2nccc(-c3ccnc(N4CCOCC4)c3)n2)c1
InChIInChI=1S/C20H18F3N5O/c21-20(22,23)15-2-1-3-16(13-15)26-19-25-7-5-17(27-19)14-4-6-24-18(12-14)28-8-10-29-11-9-28/h1-7,12-13H,8-11H2,(H,25,26,27)
InChIKeyYADYWDIBESKHOH-UHFFFAOYSA-N
MW401.39 g/mol
LogP4.14
Rot. Bonds4

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

4-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 71454942) has the molecular formula C20H18F3N5O and a molecular weight of 401.39 g/mol. Its IUPAC name is 4-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID71454942
Molecular FormulaC20H18F3N5O
Molecular Weight401.39 g/mol
Exact Mass401.15
IUPAC Name4-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(Nc2nccc(-c3ccnc(N4CCOCC4)c3)n2)c1
InChIInChI=1S/C20H18F3N5O/c21-20(22,23)15-2-1-3-16(13-15)26-19-25-7-5-17(27-19)14-4-6-24-18(12-14)28-8-10-29-11-9-28/h1-7,12-13H,8-11H2,(H,25,26,27)
InChIKeyYADYWDIBESKHOH-UHFFFAOYSA-N
XLogP4.14
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 71454942) is 4-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is FC(F)(F)c1cccc(Nc2nccc(-c3ccnc(N4CCOCC4)c3)n2)c1.
What is the InChIKey of 4-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is YADYWDIBESKHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O/c21-20(22,23)15-2-1-3-16(13-15)26-19-25-7-5-17(27-19)14-4-6-24-18(12-14)28-8-10-29-11-9-28/h1-7,12-13H,8-11H2,(H,25,26,27).
What are the key properties of 4-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
4-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 401.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-yl-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 71454942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).