5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-propoxypyrimidin-2-amine

C20H19F3N4O — CID 153393173

IUPAC5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1nc(N)nc(-c2ccccc2)c1-c1cc(C)nc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3N4O/c1-3-9-28-18-16(14-10-12(2)25-15(11-14)20(21,22)23)17(26-19(24)27-18)13-7-5-4-6-8-13/h4-8,10-11H,3,9H2,1-2H3,(H2,24,26,27)
InChIKeySGXBYJBUJSHKDA-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.90
Rot. Bonds5

About 5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-propoxypyrimidin-2-amine

5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-propoxypyrimidin-2-amine (PubChem CID 153393173) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is 5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-propoxypyrimidin-2-amine
PubChem CID153393173
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1nc(N)nc(-c2ccccc2)c1-c1cc(C)nc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3N4O/c1-3-9-28-18-16(14-10-12(2)25-15(11-14)20(21,22)23)17(26-19(24)27-18)13-7-5-4-6-8-13/h4-8,10-11H,3,9H2,1-2H3,(H2,24,26,27)
InChIKeySGXBYJBUJSHKDA-UHFFFAOYSA-N
XLogP4.90
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-propoxypyrimidin-2-amine?
The IUPAC name of 5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-propoxypyrimidin-2-amine (CID 153393173) is 5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-propoxypyrimidin-2-amine.
What is the SMILES notation for 5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-propoxypyrimidin-2-amine?
The canonical SMILES for 5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-propoxypyrimidin-2-amine is CCCOc1nc(N)nc(-c2ccccc2)c1-c1cc(C)nc(C(F)(F)F)c1.
What is the InChIKey of 5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-propoxypyrimidin-2-amine?
The InChIKey is SGXBYJBUJSHKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-3-9-28-18-16(14-10-12(2)25-15(11-14)20(21,22)23)17(26-19(24)27-18)13-7-5-4-6-8-13/h4-8,10-11H,3,9H2,1-2H3,(H2,24,26,27).
What are the key properties of 5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-propoxypyrimidin-2-amine?
5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-propoxypyrimidin-2-amine has a molecular weight of 388.39 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-4-phenyl-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 153393173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).