4-[2,2,2-trifluoro-1-[6-(3-methoxyphenyl)-3-pyridinyl]ethoxy]pyrimidin-2-amine

C18H15F3N4O2 — CID 150665446

IUPAC4-[2,2,2-trifluoro-1-[6-(3-methoxyphenyl)-3-pyridinyl]ethoxy]pyrimidin-2-amine
SMILESCOc1cccc(-c2ccc(C(Oc3ccnc(N)n3)C(F)(F)F)cn2)c1
InChIInChI=1S/C18H15F3N4O2/c1-26-13-4-2-3-11(9-13)14-6-5-12(10-24-14)16(18(19,20)21)27-15-7-8-23-17(22)25-15/h2-10,16H,1H3,(H2,22,23,25)
InChIKeyJETUSHLIUUJBHK-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.81
Rot. Bonds5

About 4-[2,2,2-trifluoro-1-[6-(3-methoxyphenyl)-3-pyridinyl]ethoxy]pyrimidin-2-amine

4-[2,2,2-trifluoro-1-[6-(3-methoxyphenyl)-3-pyridinyl]ethoxy]pyrimidin-2-amine (PubChem CID 150665446) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 4-[2,2,2-trifluoro-1-[6-(3-methoxyphenyl)-3-pyridinyl]ethoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2,2,2-trifluoro-1-[6-(3-methoxyphenyl)-3-pyridinyl]ethoxy]pyrimidin-2-amine
PubChem CID150665446
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name4-[2,2,2-trifluoro-1-[6-(3-methoxyphenyl)-3-pyridinyl]ethoxy]pyrimidin-2-amine
SMILESCOc1cccc(-c2ccc(C(Oc3ccnc(N)n3)C(F)(F)F)cn2)c1
InChIInChI=1S/C18H15F3N4O2/c1-26-13-4-2-3-11(9-13)14-6-5-12(10-24-14)16(18(19,20)21)27-15-7-8-23-17(22)25-15/h2-10,16H,1H3,(H2,22,23,25)
InChIKeyJETUSHLIUUJBHK-UHFFFAOYSA-N
XLogP3.81
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2,2-trifluoro-1-[6-(3-methoxyphenyl)-3-pyridinyl]ethoxy]pyrimidin-2-amine?
The IUPAC name of 4-[2,2,2-trifluoro-1-[6-(3-methoxyphenyl)-3-pyridinyl]ethoxy]pyrimidin-2-amine (CID 150665446) is 4-[2,2,2-trifluoro-1-[6-(3-methoxyphenyl)-3-pyridinyl]ethoxy]pyrimidin-2-amine.
What is the SMILES notation for 4-[2,2,2-trifluoro-1-[6-(3-methoxyphenyl)-3-pyridinyl]ethoxy]pyrimidin-2-amine?
The canonical SMILES for 4-[2,2,2-trifluoro-1-[6-(3-methoxyphenyl)-3-pyridinyl]ethoxy]pyrimidin-2-amine is COc1cccc(-c2ccc(C(Oc3ccnc(N)n3)C(F)(F)F)cn2)c1.
What is the InChIKey of 4-[2,2,2-trifluoro-1-[6-(3-methoxyphenyl)-3-pyridinyl]ethoxy]pyrimidin-2-amine?
The InChIKey is JETUSHLIUUJBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-26-13-4-2-3-11(9-13)14-6-5-12(10-24-14)16(18(19,20)21)27-15-7-8-23-17(22)25-15/h2-10,16H,1H3,(H2,22,23,25).
What are the key properties of 4-[2,2,2-trifluoro-1-[6-(3-methoxyphenyl)-3-pyridinyl]ethoxy]pyrimidin-2-amine?
4-[2,2,2-trifluoro-1-[6-(3-methoxyphenyl)-3-pyridinyl]ethoxy]pyrimidin-2-amine has a molecular weight of 376.34 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2,2-trifluoro-1-[6-(3-methoxyphenyl)-3-pyridinyl]ethoxy]pyrimidin-2-amine is sourced from PubChem (CID 150665446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).