2-amino-N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide

C20H24F3N7O3 — CID 77104985

IUPAC2-amino-N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESNCC(=O)Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C20H24F3N7O3/c21-20(22,23)14-9-16(27-18(31)11-24)25-12-13(14)15-10-17(29-1-5-32-6-2-29)28-19(26-15)30-3-7-33-8-4-30/h9-10,12H,1-8,11,24H2,(H,25,27,31)
InChIKeyWZEBTZCBBOOVPU-UHFFFAOYSA-N
MW467.45 g/mol
LogP1.13
Rot. Bonds5

About 2-amino-N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide

2-amino-N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 77104985) has the molecular formula C20H24F3N7O3 and a molecular weight of 467.45 g/mol. Its IUPAC name is 2-amino-N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID77104985
Molecular FormulaC20H24F3N7O3
Molecular Weight467.45 g/mol
Exact Mass467.19
IUPAC Name2-amino-N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESNCC(=O)Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C20H24F3N7O3/c21-20(22,23)14-9-16(27-18(31)11-24)25-12-13(14)15-10-17(29-1-5-32-6-2-29)28-19(26-15)30-3-7-33-8-4-30/h9-10,12H,1-8,11,24H2,(H,25,27,31)
InChIKeyWZEBTZCBBOOVPU-UHFFFAOYSA-N
XLogP1.13
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-amino-N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide (CID 77104985) is 2-amino-N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-amino-N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-amino-N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide is NCC(=O)Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of 2-amino-N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is WZEBTZCBBOOVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N7O3/c21-20(22,23)14-9-16(27-18(31)11-24)25-12-13(14)15-10-17(29-1-5-32-6-2-29)28-19(26-15)30-3-7-33-8-4-30/h9-10,12H,1-8,11,24H2,(H,25,27,31).
What are the key properties of 2-amino-N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide?
2-amino-N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 467.45 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 77104985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).