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

C18H22F3N7O3 — CID 161150053

IUPAC[3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-oxazolidin-4-yl]methanol
SMILESCC1(CO)COCN1c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C18H22F3N7O3/c1-17(8-29)9-31-10-28(17)13-6-12(24-16(25-13)27-2-4-30-5-3-27)11-7-23-15(22)26-14(11)18(19,20)21/h6-7,29H,2-5,8-10H2,1H3,(H2,22,23,26)
InChIKeyUOODAIJQTKIATG-UHFFFAOYSA-N
MW441.41 g/mol
LogP0.92
Rot. Bonds4

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

[3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-oxazolidin-4-yl]methanol (PubChem CID 161150053) has the molecular formula C18H22F3N7O3 and a molecular weight of 441.41 g/mol. Its IUPAC name is [3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-oxazolidin-4-yl]methanol.

Molecular Properties

Compound Name[3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-oxazolidin-4-yl]methanol
PubChem CID161150053
Molecular FormulaC18H22F3N7O3
Molecular Weight441.41 g/mol
Exact Mass441.17
IUPAC Name[3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-oxazolidin-4-yl]methanol
SMILESCC1(CO)COCN1c1cc(-c2cnc(N)nc2C(F)(F)F)nc(N2CCOCC2)n1
InChIInChI=1S/C18H22F3N7O3/c1-17(8-29)9-31-10-28(17)13-6-12(24-16(25-13)27-2-4-30-5-3-27)11-7-23-15(22)26-14(11)18(19,20)21/h6-7,29H,2-5,8-10H2,1H3,(H2,22,23,26)
InChIKeyUOODAIJQTKIATG-UHFFFAOYSA-N
XLogP0.92
TPSA122.75 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

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
(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
(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
(3S)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-5-(hydroxymethyl)pyrrolidin-2-one
CID 141372756
5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 46202652
(4S,5R)-3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-ol
CID 137482758
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
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,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
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
(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
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane
CID 144743484

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-1,3-oxazolidin-4-yl]methanol?
The IUPAC name of [3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-oxazolidin-4-yl]methanol (CID 161150053) is [3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-oxazolidin-4-yl]methanol.
What is the SMILES notation for [3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-oxazolidin-4-yl]methanol?
The canonical SMILES for [3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-oxazolidin-4-yl]methanol is CC1(CO)COCN1c1cc(-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-1,3-oxazolidin-4-yl]methanol?
The InChIKey is UOODAIJQTKIATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N7O3/c1-17(8-29)9-31-10-28(17)13-6-12(24-16(25-13)27-2-4-30-5-3-27)11-7-23-15(22)26-14(11)18(19,20)21/h6-7,29H,2-5,8-10H2,1H3,(H2,22,23,26).
What are the key properties of [3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-oxazolidin-4-yl]methanol?
[3-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]-4-methyl-1,3-oxazolidin-4-yl]methanol has a molecular weight of 441.41 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 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-1,3-oxazolidin-4-yl]methanol is sourced from PubChem (CID 161150053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).