3-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one;5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine

C25H28F3N7O4 — CID 161215719

IUPAC3-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one;5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCN1CC(c2cccc(OC)c2)OC1=O.Nc1ncc(-c2ccnc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N6O.C12H15NO3/c14-13(15,16)10-8(7-19-11(17)21-10)9-1-2-18-12(20-9)22-3-5-23-6-4-22;1-3-13-8-11(16-12(13)14)9-5-4-6-10(7-9)15-2/h1-2,7H,3-6H2,(H2,17,19,21);4-7,11H,3,8H2,1-2H3
InChIKeyUWVJUXNAPMOABU-UHFFFAOYSA-N
MW547.54 g/mol
LogP3.58
Rot. Bonds5

About 3-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one;5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine

3-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one;5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 161215719) has the molecular formula C25H28F3N7O4 and a molecular weight of 547.54 g/mol. Its IUPAC name is 3-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one;5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name3-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one;5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID161215719
Molecular FormulaC25H28F3N7O4
Molecular Weight547.54 g/mol
Exact Mass547.22
IUPAC Name3-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one;5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCN1CC(c2cccc(OC)c2)OC1=O.Nc1ncc(-c2ccnc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N6O.C12H15NO3/c14-13(15,16)10-8(7-19-11(17)21-10)9-1-2-18-12(20-9)22-3-5-23-6-4-22;1-3-13-8-11(16-12(13)14)9-5-4-6-10(7-9)15-2/h1-2,7H,3-6H2,(H2,17,19,21);4-7,11H,3,8H2,1-2H3
InChIKeyUWVJUXNAPMOABU-UHFFFAOYSA-N
XLogP3.58
TPSA128.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

(4R,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 90134611
3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one
CID 90134630
(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 90124010
(4S,5S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 75201318
3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(hydroxymethyl)-5-[4-(2-methoxyethoxy)phenyl]-1,3-oxazolidin-2-one
CID 129275211
(4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-propyl-1,3-oxazolidin-2-one
CID 162592459
3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-oxazolidin-2-one
CID 121477321
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 46202652
5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 59507833
(3S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(hydroxymethyl)pyrrolidin-2-one
CID 141372756
1-[(4R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-2-oxo-1,3-oxazolidin-4-yl]ethenyl carbamate
CID 162592457
5-[4-(4-morpholin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 139508931

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one;5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 3-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one;5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 161215719) is 3-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one;5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 3-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one;5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 3-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one;5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine is CCN1CC(c2cccc(OC)c2)OC1=O.Nc1ncc(-c2ccnc(N3CCOCC3)n2)c(C(F)(F)F)n1.
What is the InChIKey of 3-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one;5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is UWVJUXNAPMOABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N6O.C12H15NO3/c14-13(15,16)10-8(7-19-11(17)21-10)9-1-2-18-12(20-9)22-3-5-23-6-4-22;1-3-13-8-11(16-12(13)14)9-5-4-6-10(7-9)15-2/h1-2,7H,3-6H2,(H2,17,19,21);4-7,11H,3,8H2,1-2H3.
What are the key properties of 3-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one;5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
3-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one;5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 547.54 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-methoxyphenyl)-1,3-oxazolidin-2-one;5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 161215719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).