4-(3-phenylmorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine

C22H21F3N4O — CID 69101761

IUPAC4-(3-phenylmorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(CNc2nccc(N3CCOCC3c3ccccc3)n2)c1
InChIInChI=1S/C22H21F3N4O/c23-22(24,25)18-8-4-5-16(13-18)14-27-21-26-10-9-20(28-21)29-11-12-30-15-19(29)17-6-2-1-3-7-17/h1-10,13,19H,11-12,14-15H2,(H,26,27,28)
InChIKeyZCLNYEKOLVJMKJ-UHFFFAOYSA-N
MW414.43 g/mol
LogP4.69
Rot. Bonds5

About 4-(3-phenylmorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine

4-(3-phenylmorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine (PubChem CID 69101761) has the molecular formula C22H21F3N4O and a molecular weight of 414.43 g/mol. Its IUPAC name is 4-(3-phenylmorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-phenylmorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
PubChem CID69101761
Molecular FormulaC22H21F3N4O
Molecular Weight414.43 g/mol
Exact Mass414.17
IUPAC Name4-(3-phenylmorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
SMILESFC(F)(F)c1cccc(CNc2nccc(N3CCOCC3c3ccccc3)n2)c1
InChIInChI=1S/C22H21F3N4O/c23-22(24,25)18-8-4-5-16(13-18)14-27-21-26-10-9-20(28-21)29-11-12-30-15-19(29)17-6-2-1-3-7-17/h1-10,13,19H,11-12,14-15H2,(H,26,27,28)
InChIKeyZCLNYEKOLVJMKJ-UHFFFAOYSA-N
XLogP4.69
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3S)-3-phenylmorpholin-4-yl]-N-[(2,3,4-trifluorophenyl)methyl]pyrimidin-2-amine
CID 10194291
N-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4-(3-phenylmorpholin-4-yl)pyrimidin-2-amine
CID 69101814
N-(2,3-dihydro-1H-inden-1-yl)-4-[(3S)-3-phenylmorpholin-4-yl]pyrimidin-2-amine
CID 10193886
N-benzyl-4-[6-morpholin-4-yl-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]pyrimidin-2-amine
CID 142068778
2-N-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80771252
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122318873
4-N-benzyl-6-piperidin-1-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
CID 23984522
(3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine
CID 140974148
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
(3S)-3-(2-benzyl-1,2,4-triazol-3-yl)-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine
CID 124882819
4-[6-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]-N-benzylpyrimidin-2-amine
CID 142068756
N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 63331563

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylmorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-(3-phenylmorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine (CID 69101761) is 4-(3-phenylmorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-phenylmorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(3-phenylmorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine is FC(F)(F)c1cccc(CNc2nccc(N3CCOCC3c3ccccc3)n2)c1.
What is the InChIKey of 4-(3-phenylmorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is ZCLNYEKOLVJMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O/c23-22(24,25)18-8-4-5-16(13-18)14-27-21-26-10-9-20(28-21)29-11-12-30-15-19(29)17-6-2-1-3-7-17/h1-10,13,19H,11-12,14-15H2,(H,26,27,28).
What are the key properties of 4-(3-phenylmorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine?
4-(3-phenylmorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 414.43 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylmorpholin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 69101761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).