3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one

C22H21F3N8O3 — CID 75201325

IUPAC3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESCC1C(c2cccnc2)OC(=O)N1c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C22H21F3N8O3/c1-12-17(13-3-2-4-27-10-13)36-21(34)33(12)16-9-15(29-20(30-16)32-5-7-35-8-6-32)14-11-28-19(26)31-18(14)22(23,24)25/h2-4,9-12,17H,5-8H2,1H3,(H2,26,28,31)
InChIKeyKATQJQKVBJYYEE-UHFFFAOYSA-N
MW502.46 g/mol
LogP2.85
Rot. Bonds4

About 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one

3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one (PubChem CID 75201325) has the molecular formula C22H21F3N8O3 and a molecular weight of 502.46 g/mol. Its IUPAC name is 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one
PubChem CID75201325
Molecular FormulaC22H21F3N8O3
Molecular Weight502.46 g/mol
Exact Mass502.17
IUPAC Name3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESCC1C(c2cccnc2)OC(=O)N1c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C22H21F3N8O3/c1-12-17(13-3-2-4-27-10-13)36-21(34)33(12)16-9-15(29-20(30-16)32-5-7-35-8-6-32)14-11-28-19(26)31-18(14)22(23,24)25/h2-4,9-12,17H,5-8H2,1H3,(H2,26,28,31)
InChIKeyKATQJQKVBJYYEE-UHFFFAOYSA-N
XLogP2.85
TPSA132.48 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one (CID 75201325) is 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one is CC1C(c2cccnc2)OC(=O)N1c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1.
What is the InChIKey of 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The InChIKey is KATQJQKVBJYYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N8O3/c1-12-17(13-3-2-4-27-10-13)36-21(34)33(12)16-9-15(29-20(30-16)32-5-7-35-8-6-32)14-11-28-19(26)31-18(14)22(23,24)25/h2-4,9-12,17H,5-8H2,1H3,(H2,26,28,31).
What are the key properties of 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one?
3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one has a molecular weight of 502.46 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-pyridin-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 75201325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).