2-[2-(5-methoxy-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy-N-methylbenzamide

C21H19F3N4O3 — CID 118908133

IUPAC2-[2-(5-methoxy-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Oc1nc(Nc2cc(OC)ccc2C)ncc1C(F)(F)F
InChIInChI=1S/C21H19F3N4O3/c1-12-8-9-13(30-3)10-16(12)27-20-26-11-15(21(22,23)24)19(28-20)31-17-7-5-4-6-14(17)18(29)25-2/h4-11H,1-3H3,(H,25,29)(H,26,27,28)
InChIKeyDWBLQRNFURTUBC-UHFFFAOYSA-N
MW432.40 g/mol
LogP4.71
Rot. Bonds6

About 2-[2-(5-methoxy-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy-N-methylbenzamide

2-[2-(5-methoxy-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy-N-methylbenzamide (PubChem CID 118908133) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is 2-[2-(5-methoxy-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy-N-methylbenzamide.

Molecular Properties

Compound Name2-[2-(5-methoxy-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy-N-methylbenzamide
PubChem CID118908133
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC Name2-[2-(5-methoxy-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Oc1nc(Nc2cc(OC)ccc2C)ncc1C(F)(F)F
InChIInChI=1S/C21H19F3N4O3/c1-12-8-9-13(30-3)10-16(12)27-20-26-11-15(21(22,23)24)19(28-20)31-17-7-5-4-6-14(17)18(29)25-2/h4-11H,1-3H3,(H,25,29)(H,26,27,28)
InChIKeyDWBLQRNFURTUBC-UHFFFAOYSA-N
XLogP4.71
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-bromo-2-(3-methoxyanilino)pyrimidin-4-yl]oxy-N-methylbenzamide
CID 162649997
N-[2-[[2-(5-methoxy-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]-5-methylphenyl]prop-2-enamide
CID 90331330
2-[2-[4-[[(3R,3aR,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]oxy-6-ethyl-N-methylbenzamide
CID 159204133
methyl 2-[2-[2-methoxy-4-(oxan-4-ylcarbamoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]oxy-6-methylbenzoate
CID 143998918
5-methoxy-2-methyl-4-[[4-[(2-methyl-3-oxo-1H-isoindol-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 134301296
5-methoxy-N,N,2-trimethyl-4-[[4-[(2-methyl-3-oxo-1H-isoindol-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 58522670
4-[[4-[2-(methanesulfonamido)phenoxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 46196519
4-(4-methylphenoxy)-N-phenyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 172680342
N-tert-butyl-3-methoxy-4-[[4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 58522598
2-[2-[4-[3-[2-(dimethylamino)ethylamino]oxiran-2-yl]-5-fluoro-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]oxy-6-ethyl-N-methylbenzamide
CID 91331633
4-[[4-[4-(2-hydroxyprop-2-enyl)phenoxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 90290773
4-[[4-[2-(2-amino-2-oxoethyl)phenoxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 58525317

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methoxy-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy-N-methylbenzamide?
The IUPAC name of 2-[2-(5-methoxy-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy-N-methylbenzamide (CID 118908133) is 2-[2-(5-methoxy-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy-N-methylbenzamide.
What is the SMILES notation for 2-[2-(5-methoxy-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy-N-methylbenzamide?
The canonical SMILES for 2-[2-(5-methoxy-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy-N-methylbenzamide is CNC(=O)c1ccccc1Oc1nc(Nc2cc(OC)ccc2C)ncc1C(F)(F)F.
What is the InChIKey of 2-[2-(5-methoxy-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy-N-methylbenzamide?
The InChIKey is DWBLQRNFURTUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c1-12-8-9-13(30-3)10-16(12)27-20-26-11-15(21(22,23)24)19(28-20)31-17-7-5-4-6-14(17)18(29)25-2/h4-11H,1-3H3,(H,25,29)(H,26,27,28).
What are the key properties of 2-[2-(5-methoxy-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy-N-methylbenzamide?
2-[2-(5-methoxy-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy-N-methylbenzamide has a molecular weight of 432.40 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methoxy-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxy-N-methylbenzamide is sourced from PubChem (CID 118908133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).