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

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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).