N-(3-morpholin-4-yl-5-phenylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine

C21H19F3N4O — CID 90041420

IUPACN-(3-morpholin-4-yl-5-phenylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2cc(-c3ccccc3)cc(N3CCOCC3)c2)n1
InChIInChI=1S/C21H19F3N4O/c22-21(23,24)19-6-7-25-20(27-19)26-17-12-16(15-4-2-1-3-5-15)13-18(14-17)28-8-10-29-11-9-28/h1-7,12-14H,8-11H2,(H,25,26,27)
InChIKeyWFLHHCFLCSFVFI-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.74
Rot. Bonds4

About N-(3-morpholin-4-yl-5-phenylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(3-morpholin-4-yl-5-phenylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 90041420) has the molecular formula C21H19F3N4O and a molecular weight of 400.40 g/mol. Its IUPAC name is N-(3-morpholin-4-yl-5-phenylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-yl-5-phenylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID90041420
Molecular FormulaC21H19F3N4O
Molecular Weight400.40 g/mol
Exact Mass400.15
IUPAC NameN-(3-morpholin-4-yl-5-phenylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2cc(-c3ccccc3)cc(N3CCOCC3)c2)n1
InChIInChI=1S/C21H19F3N4O/c22-21(23,24)19-6-7-25-20(27-19)26-17-12-16(15-4-2-1-3-5-15)13-18(14-17)28-8-10-29-11-9-28/h1-7,12-14H,8-11H2,(H,25,26,27)
InChIKeyWFLHHCFLCSFVFI-UHFFFAOYSA-N
XLogP4.74
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-yl-5-phenylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(3-morpholin-4-yl-5-phenylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 90041420) is N-(3-morpholin-4-yl-5-phenylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-morpholin-4-yl-5-phenylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(3-morpholin-4-yl-5-phenylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(Nc2cc(-c3ccccc3)cc(N3CCOCC3)c2)n1.
What is the InChIKey of N-(3-morpholin-4-yl-5-phenylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is WFLHHCFLCSFVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O/c22-21(23,24)19-6-7-25-20(27-19)26-17-12-16(15-4-2-1-3-5-15)13-18(14-17)28-8-10-29-11-9-28/h1-7,12-14H,8-11H2,(H,25,26,27).
What are the key properties of N-(3-morpholin-4-yl-5-phenylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(3-morpholin-4-yl-5-phenylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 400.40 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-yl-5-phenylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 90041420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).