1,3-oxazinan-3-yl-[2-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone

C20H23F3N4O4 — CID 152957032

IUPAC1,3-oxazinan-3-yl-[2-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone
SMILESCC(C)Oc1cc(CNc2ncc(C(=O)N3CCCOC3)cn2)cc(OC(F)(F)F)c1
InChIInChI=1S/C20H23F3N4O4/c1-13(2)30-16-6-14(7-17(8-16)31-20(21,22)23)9-24-19-25-10-15(11-26-19)18(28)27-4-3-5-29-12-27/h6-8,10-11,13H,3-5,9,12H2,1-2H3,(H,24,25,26)
InChIKeyUPVCXRNRWZFFES-UHFFFAOYSA-N
MW440.42 g/mol
LogP3.59
Rot. Bonds7

About 1,3-oxazinan-3-yl-[2-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone

1,3-oxazinan-3-yl-[2-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone (PubChem CID 152957032) has the molecular formula C20H23F3N4O4 and a molecular weight of 440.42 g/mol. Its IUPAC name is 1,3-oxazinan-3-yl-[2-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name1,3-oxazinan-3-yl-[2-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone
PubChem CID152957032
Molecular FormulaC20H23F3N4O4
Molecular Weight440.42 g/mol
Exact Mass440.17
IUPAC Name1,3-oxazinan-3-yl-[2-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone
SMILESCC(C)Oc1cc(CNc2ncc(C(=O)N3CCCOC3)cn2)cc(OC(F)(F)F)c1
InChIInChI=1S/C20H23F3N4O4/c1-13(2)30-16-6-14(7-17(8-16)31-20(21,22)23)9-24-19-25-10-15(11-26-19)18(28)27-4-3-5-29-12-27/h6-8,10-11,13H,3-5,9,12H2,1-2H3,(H,24,25,26)
InChIKeyUPVCXRNRWZFFES-UHFFFAOYSA-N
XLogP3.59
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[[3-(azetidin-1-yl)-5-propan-2-yloxyphenyl]methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
CID 166858456
[2-[(3,5-dicyclopropylphenyl)methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
CID 166858457
1,3-oxazinan-3-yl-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-5-yl]methanone
CID 154938773
[2-[[3-cyclopropyl-5-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]-(8-oxa-1-azaspiro[3.5]nonan-1-yl)methanone
CID 151541072
[2-[[3-bromo-5-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]-(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone
CID 150655820
6-oxa-1-azaspiro[3.3]heptan-1-yl-[2-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone
CID 152512357
[2-[(5-ethoxy-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
CID 154933185
[2-(2-methylpropylamino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109248626
[5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270903
[2-[(5-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
CID 154933111
[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249928
1-[4-[2-[(4-fluorophenyl)methylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254612

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazinan-3-yl-[2-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone?
The IUPAC name of 1,3-oxazinan-3-yl-[2-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone (CID 152957032) is 1,3-oxazinan-3-yl-[2-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone.
What is the SMILES notation for 1,3-oxazinan-3-yl-[2-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone?
The canonical SMILES for 1,3-oxazinan-3-yl-[2-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone is CC(C)Oc1cc(CNc2ncc(C(=O)N3CCCOC3)cn2)cc(OC(F)(F)F)c1.
What is the InChIKey of 1,3-oxazinan-3-yl-[2-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone?
The InChIKey is UPVCXRNRWZFFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O4/c1-13(2)30-16-6-14(7-17(8-16)31-20(21,22)23)9-24-19-25-10-15(11-26-19)18(28)27-4-3-5-29-12-27/h6-8,10-11,13H,3-5,9,12H2,1-2H3,(H,24,25,26).
What are the key properties of 1,3-oxazinan-3-yl-[2-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone?
1,3-oxazinan-3-yl-[2-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone has a molecular weight of 440.42 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazinan-3-yl-[2-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 152957032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).