N-[2,6-dimethyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide

C20H18F3N5O5 — CID 54233326

IUPACN-[2,6-dimethyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
SMILESCc1cc(Oc2ccnc(C(F)(F)F)n2)cc(C)c1NC(=O)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C20H18F3N5O5/c1-9-7-11(33-12-5-6-24-18(25-12)20(21,22)23)8-10(2)14(9)26-15(29)13-16(30)27(3)19(32)28(4)17(13)31/h5-8,30H,1-4H3,(H,26,29)
InChIKeyQKUMODHBUKGESS-UHFFFAOYSA-N
MW465.39 g/mol
LogP2.26
Rot. Bonds4

About N-[2,6-dimethyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide

N-[2,6-dimethyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide (PubChem CID 54233326) has the molecular formula C20H18F3N5O5 and a molecular weight of 465.39 g/mol. Its IUPAC name is N-[2,6-dimethyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2,6-dimethyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
PubChem CID54233326
Molecular FormulaC20H18F3N5O5
Molecular Weight465.39 g/mol
Exact Mass465.13
IUPAC NameN-[2,6-dimethyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
SMILESCc1cc(Oc2ccnc(C(F)(F)F)n2)cc(C)c1NC(=O)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C20H18F3N5O5/c1-9-7-11(33-12-5-6-24-18(25-12)20(21,22)23)8-10(2)14(9)26-15(29)13-16(30)27(3)19(32)28(4)17(13)31/h5-8,30H,1-4H3,(H,26,29)
InChIKeyQKUMODHBUKGESS-UHFFFAOYSA-N
XLogP2.26
TPSA128.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-dimethyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-[2,6-dimethyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide (CID 54233326) is N-[2,6-dimethyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-[2,6-dimethyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-[2,6-dimethyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide is Cc1cc(Oc2ccnc(C(F)(F)F)n2)cc(C)c1NC(=O)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of N-[2,6-dimethyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide?
The InChIKey is QKUMODHBUKGESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O5/c1-9-7-11(33-12-5-6-24-18(25-12)20(21,22)23)8-10(2)14(9)26-15(29)13-16(30)27(3)19(32)28(4)17(13)31/h5-8,30H,1-4H3,(H,26,29).
What are the key properties of N-[2,6-dimethyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide?
N-[2,6-dimethyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide has a molecular weight of 465.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dimethyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 54233326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).