5-(4-methylphenyl)-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine

C19H17F3N4O2 — CID 68899630

IUPAC5-(4-methylphenyl)-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine
SMILESCc1ccc(-c2c(N)ncnc2OCCOc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C19H17F3N4O2/c1-12-2-4-13(5-3-12)16-17(23)25-11-26-18(16)28-9-8-27-15-7-6-14(10-24-15)19(20,21)22/h2-7,10-11H,8-9H2,1H3,(H2,23,25,26)
InChIKeyGEBZEUCBNKOPIM-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.91
Rot. Bonds6

About 5-(4-methylphenyl)-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine

5-(4-methylphenyl)-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine (PubChem CID 68899630) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is 5-(4-methylphenyl)-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine
PubChem CID68899630
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC Name5-(4-methylphenyl)-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine
SMILESCc1ccc(-c2c(N)ncnc2OCCOc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C19H17F3N4O2/c1-12-2-4-13(5-3-12)16-17(23)25-11-26-18(16)28-9-8-27-15-7-6-14(10-24-15)19(20,21)22/h2-7,10-11H,8-9H2,1H3,(H2,23,25,26)
InChIKeyGEBZEUCBNKOPIM-UHFFFAOYSA-N
XLogP3.91
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.91
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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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine?
The IUPAC name of 5-(4-methylphenyl)-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine (CID 68899630) is 5-(4-methylphenyl)-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-methylphenyl)-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine?
The canonical SMILES for 5-(4-methylphenyl)-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine is Cc1ccc(-c2c(N)ncnc2OCCOc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine?
The InChIKey is GEBZEUCBNKOPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c1-12-2-4-13(5-3-12)16-17(23)25-11-26-18(16)28-9-8-27-15-7-6-14(10-24-15)19(20,21)22/h2-7,10-11H,8-9H2,1H3,(H2,23,25,26).
What are the key properties of 5-(4-methylphenyl)-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine?
5-(4-methylphenyl)-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine has a molecular weight of 390.37 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-6-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethoxy]pyrimidin-4-amine is sourced from PubChem (CID 68899630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).