2-morpholin-4-yl-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

C20H18F3N5O — CID 10318849

IUPAC2-morpholin-4-yl-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(-c2cc(Nc3cccnc3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H18F3N5O/c21-20(22,23)15-4-1-3-14(11-15)17-12-18(25-16-5-2-6-24-13-16)27-19(26-17)28-7-9-29-10-8-28/h1-6,11-13H,7-10H2,(H,25,26,27)
InChIKeyAVRBPZVQTKROLI-UHFFFAOYSA-N
MW401.39 g/mol
LogP4.14
Rot. Bonds4

About 2-morpholin-4-yl-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine

2-morpholin-4-yl-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 10318849) has the molecular formula C20H18F3N5O and a molecular weight of 401.39 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID10318849
Molecular FormulaC20H18F3N5O
Molecular Weight401.39 g/mol
Exact Mass401.15
IUPAC Name2-morpholin-4-yl-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1cccc(-c2cc(Nc3cccnc3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C20H18F3N5O/c21-20(22,23)15-4-1-3-14(11-15)17-12-18(25-16-5-2-6-24-13-16)27-19(26-17)28-7-9-29-10-8-28/h1-6,11-13H,7-10H2,(H,25,26,27)
InChIKeyAVRBPZVQTKROLI-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 2-morpholin-4-yl-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-morpholin-4-yl-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 10318849) is 2-morpholin-4-yl-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-morpholin-4-yl-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-morpholin-4-yl-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is FC(F)(F)c1cccc(-c2cc(Nc3cccnc3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 2-morpholin-4-yl-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is AVRBPZVQTKROLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O/c21-20(22,23)15-4-1-3-14(11-15)17-12-18(25-16-5-2-6-24-13-16)27-19(26-17)28-7-9-29-10-8-28/h1-6,11-13H,7-10H2,(H,25,26,27).
What are the key properties of 2-morpholin-4-yl-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine?
2-morpholin-4-yl-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-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 2-morpholin-4-yl-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 10318849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).