6-methyl-N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine

C19H23F3N4O2 — CID 117080926

IUPAC6-methyl-N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCc1cc(NCCCN2CCOCC2)nc(-c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C19H23F3N4O2/c1-14-12-17(23-6-3-7-26-8-10-27-11-9-26)25-18(24-14)15-4-2-5-16(13-15)28-19(20,21)22/h2,4-5,12-13H,3,6-11H2,1H3,(H,23,24,25)
InChIKeyAGIRKXPENXSSJI-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.48
Rot. Bonds7

About 6-methyl-N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine

6-methyl-N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine (PubChem CID 117080926) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is 6-methyl-N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
PubChem CID117080926
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC Name6-methyl-N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
SMILESCc1cc(NCCCN2CCOCC2)nc(-c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C19H23F3N4O2/c1-14-12-17(23-6-3-7-26-8-10-27-11-9-26)25-18(24-14)15-4-2-5-16(13-15)28-19(20,21)22/h2,4-5,12-13H,3,6-11H2,1H3,(H,23,24,25)
InChIKeyAGIRKXPENXSSJI-UHFFFAOYSA-N
XLogP3.48
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-methyl-6-(3-morpholin-4-ylpropylamino)pyrimidin-2-yl]phenol
CID 3565841
6-N-(2-morpholin-4-ylethyl)-2-phenyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 59982998
6-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-2-(3-nitrophenyl)pyrimidin-4-amine
CID 55735395
2-methyl-N-(3-morpholin-4-ylpropyl)-6-pyridin-3-ylpyrimidin-4-amine
CID 4998539
6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine
CID 3599041
N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
N-(2-morpholin-4-ylethyl)-5-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285476
6-(3-methylphenyl)-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 117080618
2-N-(2,6-difluorophenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913270
8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine
CID 27271084
N-(3-morpholin-4-ylpropyl)-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 4534225
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913193

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine (CID 117080926) is 6-methyl-N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine is Cc1cc(NCCCN2CCOCC2)nc(-c2cccc(OC(F)(F)F)c2)n1.
What is the InChIKey of 6-methyl-N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
The InChIKey is AGIRKXPENXSSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-14-12-17(23-6-3-7-26-8-10-27-11-9-26)25-18(24-14)15-4-2-5-16(13-15)28-19(20,21)22/h2,4-5,12-13H,3,6-11H2,1H3,(H,23,24,25).
What are the key properties of 6-methyl-N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine?
6-methyl-N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine has a molecular weight of 396.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-morpholin-4-ylpropyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 117080926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).