4-(6-morpholin-4-yl-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyrimidin-2-amine

C22H19F3N8O2 — CID 71570107

IUPAC4-(6-morpholin-4-yl-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyrimidin-2-amine
SMILESFC(F)(F)c1nc(-c2ccc(CNc3nccc(-c4ccc(N5CCOCC5)nc4)n3)nc2)no1
InChIInChI=1S/C22H19F3N8O2/c23-22(24,25)20-31-19(32-35-20)15-1-3-16(27-12-15)13-29-21-26-6-5-17(30-21)14-2-4-18(28-11-14)33-7-9-34-10-8-33/h1-6,11-12H,7-10,13H2,(H,26,29,30)
InChIKeyATNPEQKMJNGYFL-UHFFFAOYSA-N
MW484.44 g/mol
LogP3.45
Rot. Bonds6

About 4-(6-morpholin-4-yl-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyrimidin-2-amine

4-(6-morpholin-4-yl-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyrimidin-2-amine (PubChem CID 71570107) has the molecular formula C22H19F3N8O2 and a molecular weight of 484.44 g/mol. Its IUPAC name is 4-(6-morpholin-4-yl-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-morpholin-4-yl-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyrimidin-2-amine
PubChem CID71570107
Molecular FormulaC22H19F3N8O2
Molecular Weight484.44 g/mol
Exact Mass484.16
IUPAC Name4-(6-morpholin-4-yl-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyrimidin-2-amine
SMILESFC(F)(F)c1nc(-c2ccc(CNc3nccc(-c4ccc(N5CCOCC5)nc4)n3)nc2)no1
InChIInChI=1S/C22H19F3N8O2/c23-22(24,25)20-31-19(32-35-20)15-1-3-16(27-12-15)13-29-21-26-6-5-17(30-21)14-2-4-18(28-11-14)33-7-9-34-10-8-33/h1-6,11-12H,7-10,13H2,(H,26,29,30)
InChIKeyATNPEQKMJNGYFL-UHFFFAOYSA-N
XLogP3.45
TPSA114.98 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-(6-morpholin-4-yl-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-(6-morpholin-4-yl-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyrimidin-2-amine (CID 71570107) is 4-(6-morpholin-4-yl-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(6-morpholin-4-yl-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(6-morpholin-4-yl-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyrimidin-2-amine is FC(F)(F)c1nc(-c2ccc(CNc3nccc(-c4ccc(N5CCOCC5)nc4)n3)nc2)no1.
What is the InChIKey of 4-(6-morpholin-4-yl-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyrimidin-2-amine?
The InChIKey is ATNPEQKMJNGYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N8O2/c23-22(24,25)20-31-19(32-35-20)15-1-3-16(27-12-15)13-29-21-26-6-5-17(30-21)14-2-4-18(28-11-14)33-7-9-34-10-8-33/h1-6,11-12H,7-10,13H2,(H,26,29,30).
What are the key properties of 4-(6-morpholin-4-yl-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyrimidin-2-amine?
4-(6-morpholin-4-yl-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyrimidin-2-amine has a molecular weight of 484.44 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-morpholin-4-yl-3-pyridinyl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 71570107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).