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

C17H18F3N3O3 — CID 2992168

IUPAC4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESCOc1ccc(-c2cc(C(F)(F)F)nc(N3CCOCC3)n2)cc1OC
InChIInChI=1S/C17H18F3N3O3/c1-24-13-4-3-11(9-14(13)25-2)12-10-15(17(18,19)20)22-16(21-12)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3
InChIKeyJKHKQIAYPUWKIB-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.02
Rot. Bonds4

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

4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine (PubChem CID 2992168) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
PubChem CID2992168
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
SMILESCOc1ccc(-c2cc(C(F)(F)F)nc(N3CCOCC3)n2)cc1OC
InChIInChI=1S/C17H18F3N3O3/c1-24-13-4-3-11(9-14(13)25-2)12-10-15(17(18,19)20)22-16(21-12)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3
InChIKeyJKHKQIAYPUWKIB-UHFFFAOYSA-N
XLogP3.02
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine (CID 2992168) is 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine is COc1ccc(-c2cc(C(F)(F)F)nc(N3CCOCC3)n2)cc1OC.
What is the InChIKey of 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
The InChIKey is JKHKQIAYPUWKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-24-13-4-3-11(9-14(13)25-2)12-10-15(17(18,19)20)22-16(21-12)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine?
4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine has a molecular weight of 369.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 2992168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).