N-morpholin-4-yl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide

C22H20F3N5O3 — CID 59983042

IUPACN-morpholin-4-yl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
SMILESO=C(NN1CCOCC1)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1
InChIInChI=1S/C22H20F3N5O3/c23-22(24,25)33-18-6-4-17(5-7-18)28-20-13-19(26-14-27-20)15-2-1-3-16(12-15)21(31)29-30-8-10-32-11-9-30/h1-7,12-14H,8-11H2,(H,29,31)(H,26,27,28)
InChIKeyRCUNZSGDVPEXPC-UHFFFAOYSA-N
MW459.43 g/mol
LogP3.76
Rot. Bonds6

About N-morpholin-4-yl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide

N-morpholin-4-yl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide (PubChem CID 59983042) has the molecular formula C22H20F3N5O3 and a molecular weight of 459.43 g/mol. Its IUPAC name is N-morpholin-4-yl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-morpholin-4-yl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
PubChem CID59983042
Molecular FormulaC22H20F3N5O3
Molecular Weight459.43 g/mol
Exact Mass459.15
IUPAC NameN-morpholin-4-yl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
SMILESO=C(NN1CCOCC1)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1
InChIInChI=1S/C22H20F3N5O3/c23-22(24,25)33-18-6-4-17(5-7-18)28-20-13-19(26-14-27-20)15-2-1-3-16(12-15)21(31)29-30-8-10-32-11-9-30/h1-7,12-14H,8-11H2,(H,29,31)(H,26,27,28)
InChIKeyRCUNZSGDVPEXPC-UHFFFAOYSA-N
XLogP3.76
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Gnf-2
CID 5311510
N-(2-hydroxyethyl)-3-(6-((4-(trifluoromethoxy)phenyl)amino)-4-pyrimidinyl)benzamide
CID 44129660
N-[3-(morpholin-4-ylmethyl)phenyl]-4-[[4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 127041806
N-(2-morpholinoethyl)-3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-yl)benzamide
CID 44194683
GNF5-amido-Me
CID 44194684
Morpholino(3-(6-(4-(trifluoromethoxy)phenylamino)pyrimidin-4-yl)phenyl)methanone
CID 44194685
1-(6-(4-(2-(Diethylamino)ethoxy)phenylamino)pyrimidin-4-yl)-1-methyl-3-(2-methyl-5-(3-(trifluoromethyl)benzamido)phenyl)urea
CID 44412571
4-(6-(4-(Trifluoromethoxy)phenylamino)pyrimidin-4-yl)benzamide
CID 49781000
1-[3-[6-[4-(Trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]ethanone
CID 59455597
3-(Pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)benzamide
CID 72202747
N-(3-morpholin-4-ylpropyl)-3-[[4-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzamide
CID 44532683
2-fluoro-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide
CID 134796960

Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide?
The IUPAC name of N-morpholin-4-yl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide (CID 59983042) is N-morpholin-4-yl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-morpholin-4-yl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide?
The canonical SMILES for N-morpholin-4-yl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide is O=C(NN1CCOCC1)c1cccc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1.
What is the InChIKey of N-morpholin-4-yl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide?
The InChIKey is RCUNZSGDVPEXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O3/c23-22(24,25)33-18-6-4-17(5-7-18)28-20-13-19(26-14-27-20)15-2-1-3-16(12-15)21(31)29-30-8-10-32-11-9-30/h1-7,12-14H,8-11H2,(H,29,31)(H,26,27,28).
What are the key properties of N-morpholin-4-yl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide?
N-morpholin-4-yl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide has a molecular weight of 459.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 59983042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).