4-(6-methyl-2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine

C16H16F3N3O — CID 56918939

IUPAC4-(6-methyl-2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine
SMILESCc1cc(N2CCOC(C(F)(F)F)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H16F3N3O/c1-11-9-14(21-15(20-11)12-5-3-2-4-6-12)22-7-8-23-13(10-22)16(17,18)19/h2-6,9,13H,7-8,10H2,1H3
InChIKeyNUHWAXDCFXRECI-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.22
Rot. Bonds2

About 4-(6-methyl-2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine

4-(6-methyl-2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine (PubChem CID 56918939) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 4-(6-methyl-2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(6-methyl-2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine
PubChem CID56918939
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name4-(6-methyl-2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine
SMILESCc1cc(N2CCOC(C(F)(F)F)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H16F3N3O/c1-11-9-14(21-15(20-11)12-5-3-2-4-6-12)22-7-8-23-13(10-22)16(17,18)19/h2-6,9,13H,7-8,10H2,1H3
InChIKeyNUHWAXDCFXRECI-UHFFFAOYSA-N
XLogP3.22
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-(6-methyl-2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine (CID 56918939) is 4-(6-methyl-2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(6-methyl-2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-(6-methyl-2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine is Cc1cc(N2CCOC(C(F)(F)F)C2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-(6-methyl-2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine?
The InChIKey is NUHWAXDCFXRECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-11-9-14(21-15(20-11)12-5-3-2-4-6-12)22-7-8-23-13(10-22)16(17,18)19/h2-6,9,13H,7-8,10H2,1H3.
What are the key properties of 4-(6-methyl-2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine?
4-(6-methyl-2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine has a molecular weight of 323.32 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-phenylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56918939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).