4-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-6-(trifluoromethyl)-1,3,5-triazin-2-amine

C15H15ClF3N5O — CID 167954533

IUPAC4-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCC1COC(c2cccc(Cl)c2)CN1c1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C15H15ClF3N5O/c1-8-7-25-11(9-3-2-4-10(16)5-9)6-24(8)14-22-12(15(17,18)19)21-13(20)23-14/h2-5,8,11H,6-7H2,1H3,(H2,20,21,22,23)
InChIKeyZVAMQTGMMOVZQD-UHFFFAOYSA-N
MW373.77 g/mol
LogP3.09
Rot. Bonds2

About 4-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-6-(trifluoromethyl)-1,3,5-triazin-2-amine

4-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 167954533) has the molecular formula C15H15ClF3N5O and a molecular weight of 373.77 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID167954533
Molecular FormulaC15H15ClF3N5O
Molecular Weight373.77 g/mol
Exact Mass373.09
IUPAC Name4-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESCC1COC(c2cccc(Cl)c2)CN1c1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C15H15ClF3N5O/c1-8-7-25-11(9-3-2-4-10(16)5-9)6-24(8)14-22-12(15(17,18)19)21-13(20)23-14/h2-5,8,11H,6-7H2,1H3,(H2,20,21,22,23)
InChIKeyZVAMQTGMMOVZQD-UHFFFAOYSA-N
XLogP3.09
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenyl)-4-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methylmorpholine
CID 122147461
2-(3-chlorophenyl)-5-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholine
CID 133487015
2-[[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]methyl]pyrimidin-4-amine
CID 124621384
1-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-fluoroprop-2-en-1-one
CID 166417422
(2R,5R)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide
CID 99825536
(2R,5S)-2-(3-chlorophenyl)-N,N,5-trimethylmorpholine-4-sulfonamide
CID 99825537
(2R,5S)-2-(3-chlorophenyl)-5-methyl-4-[(2-methylpyrazol-3-yl)methyl]morpholine
CID 99828049
[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 99823473
(2S,5S)-2-(3-chlorophenyl)-5-methyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine
CID 125138246
2-(3-chlorophenyl)-5-methyl-4-[2-(1-methyltriazol-4-yl)ethyl]morpholine
CID 167753282
(2R,5R)-2-(3-chlorophenyl)-5-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 99828071
1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone
CID 124619075

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 167954533) is 4-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-6-(trifluoromethyl)-1,3,5-triazin-2-amine is CC1COC(c2cccc(Cl)c2)CN1c1nc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 4-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is ZVAMQTGMMOVZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N5O/c1-8-7-25-11(9-3-2-4-10(16)5-9)6-24(8)14-22-12(15(17,18)19)21-13(20)23-14/h2-5,8,11H,6-7H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
4-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 373.77 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 167954533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).