2-amino-N-[4-[2-amino-6-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]anilino]pyrimidin-4-yl]phenyl]acetamide

C24H20F3N7O2 — CID 11330948

IUPAC2-amino-N-[4-[2-amino-6-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]anilino]pyrimidin-4-yl]phenyl]acetamide
SMILESNCC(=O)Nc1ccc(-c2cc(Nc3cccc(Oc4ccnc(C(F)(F)F)c4)c3)nc(N)n2)cc1
InChIInChI=1S/C24H20F3N7O2/c25-24(26,27)20-11-18(8-9-30-20)36-17-3-1-2-16(10-17)31-21-12-19(33-23(29)34-21)14-4-6-15(7-5-14)32-22(35)13-28/h1-12H,13,28H2,(H,32,35)(H3,29,31,33,34)
InChIKeyKTQIRDMWNXCFTB-UHFFFAOYSA-N
MW495.47 g/mol
LogP4.57
Rot. Bonds7

About 2-amino-N-[4-[2-amino-6-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]anilino]pyrimidin-4-yl]phenyl]acetamide

2-amino-N-[4-[2-amino-6-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]anilino]pyrimidin-4-yl]phenyl]acetamide (PubChem CID 11330948) has the molecular formula C24H20F3N7O2 and a molecular weight of 495.47 g/mol. Its IUPAC name is 2-amino-N-[4-[2-amino-6-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]anilino]pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[2-amino-6-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]anilino]pyrimidin-4-yl]phenyl]acetamide
PubChem CID11330948
Molecular FormulaC24H20F3N7O2
Molecular Weight495.47 g/mol
Exact Mass495.16
IUPAC Name2-amino-N-[4-[2-amino-6-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]anilino]pyrimidin-4-yl]phenyl]acetamide
SMILESNCC(=O)Nc1ccc(-c2cc(Nc3cccc(Oc4ccnc(C(F)(F)F)c4)c3)nc(N)n2)cc1
InChIInChI=1S/C24H20F3N7O2/c25-24(26,27)20-11-18(8-9-30-20)36-17-3-1-2-16(10-17)31-21-12-19(33-23(29)34-21)14-4-6-15(7-5-14)32-22(35)13-28/h1-12H,13,28H2,(H,32,35)(H3,29,31,33,34)
InChIKeyKTQIRDMWNXCFTB-UHFFFAOYSA-N
XLogP4.57
TPSA141.07 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.47
LogP ≤ 54.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-amino-N-[4-[2-amino-6-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]anilino]pyrimidin-4-yl]phenyl]acetamide with MolForge

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Related Compounds

4-[3-[[2-amino-6-(4-ethylphenyl)pyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxamide;molecular nitrogen
CID 162177517
4-[4-[[2-amino-6-[4-(fluoromethyl)phenyl]pyrimidin-4-yl]amino]phenoxy]pyridine-2-carboxylic acid
CID 70905547
6-(6-amino-3-pyridinyl)-4-N-[4-[(2-amino-4-pyridinyl)oxy]phenyl]pyrimidine-2,4-diamine
CID 58237417
2-amino-N-(4-naphthalen-2-yloxy-2-pyridinyl)acetamide
CID 146265187
1-(4-methylphenyl)-3-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]urea
CID 58659455
6-[2-(4-aminophenyl)ethenyl]-4-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]pyrimidine-2,4-diamine
CID 76639385
2-(4-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 166976301
N'-[4-[(2-amino-4-pyridinyl)oxy]-2-(trifluoromethyl)phenyl]-N-(4-fluorophenyl)propanediamide
CID 23153165
N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 58968812
4-N-pyridin-3-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 71286698
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 169075439
2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide
CID 112988067

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[2-amino-6-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]anilino]pyrimidin-4-yl]phenyl]acetamide?
The IUPAC name of 2-amino-N-[4-[2-amino-6-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]anilino]pyrimidin-4-yl]phenyl]acetamide (CID 11330948) is 2-amino-N-[4-[2-amino-6-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]anilino]pyrimidin-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[2-amino-6-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]anilino]pyrimidin-4-yl]phenyl]acetamide?
The canonical SMILES for 2-amino-N-[4-[2-amino-6-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]anilino]pyrimidin-4-yl]phenyl]acetamide is NCC(=O)Nc1ccc(-c2cc(Nc3cccc(Oc4ccnc(C(F)(F)F)c4)c3)nc(N)n2)cc1.
What is the InChIKey of 2-amino-N-[4-[2-amino-6-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]anilino]pyrimidin-4-yl]phenyl]acetamide?
The InChIKey is KTQIRDMWNXCFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O2/c25-24(26,27)20-11-18(8-9-30-20)36-17-3-1-2-16(10-17)31-21-12-19(33-23(29)34-21)14-4-6-15(7-5-14)32-22(35)13-28/h1-12H,13,28H2,(H,32,35)(H3,29,31,33,34).
What are the key properties of 2-amino-N-[4-[2-amino-6-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]anilino]pyrimidin-4-yl]phenyl]acetamide?
2-amino-N-[4-[2-amino-6-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]anilino]pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 495.47 g/mol, XLogP of 4.57, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[2-amino-6-[3-[[2-(trifluoromethyl)-4-pyridinyl]oxy]anilino]pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 11330948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).