4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine

C16H16F3N3O2 — CID 2052768

IUPAC4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESCOc1cccc(-c2cc(C(F)(F)F)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C16H16F3N3O2/c1-23-12-4-2-3-11(9-12)13-10-14(16(17,18)19)21-15(20-13)22-5-7-24-8-6-22/h2-4,9-10H,5-8H2,1H3
InChIKeyYEQOIPOXVQAWPR-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.01
Rot. Bonds3

About 4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine

4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine (PubChem CID 2052768) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
PubChem CID2052768
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESCOc1cccc(-c2cc(C(F)(F)F)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C16H16F3N3O2/c1-23-12-4-2-3-11(9-12)13-10-14(16(17,18)19)21-15(20-13)22-5-7-24-8-6-22/h2-4,9-10H,5-8H2,1H3
InChIKeyYEQOIPOXVQAWPR-UHFFFAOYSA-N
XLogP3.01
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine (CID 2052768) is 4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine is COc1cccc(-c2cc(C(F)(F)F)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The InChIKey is YEQOIPOXVQAWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-23-12-4-2-3-11(9-12)13-10-14(16(17,18)19)21-15(20-13)22-5-7-24-8-6-22/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine has a molecular weight of 339.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 2052768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).