N-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

C17H19F3N4O — CID 3233163

IUPACN-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1-c1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)14-4-2-1-3-13(14)15-11-16(23-12-22-15)21-5-6-24-7-9-25-10-8-24/h1-4,11-12H,5-10H2,(H,21,22,23)
InChIKeyMMPVGWFBBFDPMS-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.91
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 3233163) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID3233163
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC NameN-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESFC(F)(F)c1ccccc1-c1cc(NCCN2CCOCC2)ncn1
InChIInChI=1S/C17H19F3N4O/c18-17(19,20)14-4-2-1-3-13(14)15-11-16(23-12-22-15)21-5-6-24-7-9-25-10-8-24/h1-4,11-12H,5-10H2,(H,21,22,23)
InChIKeyMMPVGWFBBFDPMS-UHFFFAOYSA-N
XLogP2.91
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 3233163) is N-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is FC(F)(F)c1ccccc1-c1cc(NCCN2CCOCC2)ncn1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is MMPVGWFBBFDPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c18-17(19,20)14-4-2-1-3-13(14)15-11-16(23-12-22-15)21-5-6-24-7-9-25-10-8-24/h1-4,11-12H,5-10H2,(H,21,22,23).
What are the key properties of N-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 352.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 3233163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).