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

C17H17F3N4O2 — CID 154938773

IUPAC1,3-oxazinan-3-yl-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCc2cccc(C(F)(F)F)c2)nc1)N1CCCOC1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)14-4-1-3-12(7-14)8-21-16-22-9-13(10-23-16)15(25)24-5-2-6-26-11-24/h1,3-4,7,9-10H,2,5-6,8,11H2,(H,21,22,23)
InChIKeyIJLZOLGBYKBTBZ-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.93
Rot. Bonds4

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

1,3-oxazinan-3-yl-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-5-yl]methanone (PubChem CID 154938773) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 1,3-oxazinan-3-yl-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name1,3-oxazinan-3-yl-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-5-yl]methanone
PubChem CID154938773
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name1,3-oxazinan-3-yl-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(NCc2cccc(C(F)(F)F)c2)nc1)N1CCCOC1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)14-4-1-3-12(7-14)8-21-16-22-9-13(10-23-16)15(25)24-5-2-6-26-11-24/h1,3-4,7,9-10H,2,5-6,8,11H2,(H,21,22,23)
InChIKeyIJLZOLGBYKBTBZ-UHFFFAOYSA-N
XLogP2.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3,5-dicyclopropylphenyl)methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
CID 166858457
[2-[[3-(azetidin-1-yl)-5-propan-2-yloxyphenyl]methylamino]pyrimidin-5-yl]-(1,3-oxazinan-3-yl)methanone
CID 166858456
5-bromo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 63871875
4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
CID 9467071
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 86993073
3-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42240852
6-oxa-1-azaspiro[3.3]heptan-1-yl-[2-[[3-(trifluoromethoxy)phenyl]methylamino]pyrimidin-5-yl]methanone
CID 152512357
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 74246545
[(2S)-2-(aminomethyl)-1,4-oxazepan-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 170896979
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;1-pyrrolidin-1-ylprop-2-en-1-one
CID 164596008
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
4-[2-[(3-methylphenyl)methylamino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254305

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazinan-3-yl-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-5-yl]methanone?
The IUPAC name of 1,3-oxazinan-3-yl-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-5-yl]methanone (CID 154938773) is 1,3-oxazinan-3-yl-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-5-yl]methanone.
What is the SMILES notation for 1,3-oxazinan-3-yl-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-5-yl]methanone?
The canonical SMILES for 1,3-oxazinan-3-yl-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-5-yl]methanone is O=C(c1cnc(NCc2cccc(C(F)(F)F)c2)nc1)N1CCCOC1.
What is the InChIKey of 1,3-oxazinan-3-yl-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-5-yl]methanone?
The InChIKey is IJLZOLGBYKBTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c18-17(19,20)14-4-1-3-12(7-14)8-21-16-22-9-13(10-23-16)15(25)24-5-2-6-26-11-24/h1,3-4,7,9-10H,2,5-6,8,11H2,(H,21,22,23).
What are the key properties of 1,3-oxazinan-3-yl-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-5-yl]methanone?
1,3-oxazinan-3-yl-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-5-yl]methanone has a molecular weight of 366.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazinan-3-yl-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-5-yl]methanone is sourced from PubChem (CID 154938773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).