N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C19H23F3N4O — CID 42958469

IUPACN-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1CN(Cc2ccc(CNc3nccc(C(F)(F)F)n3)cc2)CC(C)O1
InChIInChI=1S/C19H23F3N4O/c1-13-10-26(11-14(2)27-13)12-16-5-3-15(4-6-16)9-24-18-23-8-7-17(25-18)19(20,21)22/h3-8,13-14H,9-12H2,1-2H3,(H,23,24,25)
InChIKeyDPWIXLPHMMVFKI-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.72
Rot. Bonds5

About N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 42958469) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID42958469
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC NameN-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1CN(Cc2ccc(CNc3nccc(C(F)(F)F)n3)cc2)CC(C)O1
InChIInChI=1S/C19H23F3N4O/c1-13-10-26(11-14(2)27-13)12-16-5-3-15(4-6-16)9-24-18-23-8-7-17(25-18)19(20,21)22/h3-8,13-14H,9-12H2,1-2H3,(H,23,24,25)
InChIKeyDPWIXLPHMMVFKI-UHFFFAOYSA-N
XLogP3.72
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133277590
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]quinoxalin-2-amine
CID 60504099
4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzonitrile
CID 47281617
N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine
CID 104960940
N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133386927
N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]propan-1-amine
CID 104960962
(2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine
CID 103936707
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95160947
1-benzyl-3-[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]urea
CID 71050480
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 63938482
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95334464
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 55637137

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 42958469) is N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is CC1CN(Cc2ccc(CNc3nccc(C(F)(F)F)n3)cc2)CC(C)O1.
What is the InChIKey of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is DPWIXLPHMMVFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O/c1-13-10-26(11-14(2)27-13)12-16-5-3-15(4-6-16)9-24-18-23-8-7-17(25-18)19(20,21)22/h3-8,13-14H,9-12H2,1-2H3,(H,23,24,25).
What are the key properties of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 380.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 42958469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).