4-[[4-(6-amino-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N,2-trimethylbenzamide

C22H25N7O3 — CID 118223571

IUPAC4-[[4-(6-amino-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N,2-trimethylbenzamide
SMILESCc1cc(Oc2nc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)ccc1C(=O)N(C)C
InChIInChI=1S/C22H25N7O3/c1-14-12-16(5-6-17(14)20(30)28(2)3)32-22-26-19(15-4-7-18(23)24-13-15)25-21(27-22)29-8-10-31-11-9-29/h4-7,12-13H,8-11H2,1-3H3,(H2,23,24)
InChIKeyXUGOLKWIVPFMMP-UHFFFAOYSA-N
MW435.49 g/mol
LogP2.15
Rot. Bonds5

About 4-[[4-(6-amino-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N,2-trimethylbenzamide

4-[[4-(6-amino-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N,2-trimethylbenzamide (PubChem CID 118223571) has the molecular formula C22H25N7O3 and a molecular weight of 435.49 g/mol. Its IUPAC name is 4-[[4-(6-amino-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N,2-trimethylbenzamide.

Molecular Properties

Compound Name4-[[4-(6-amino-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N,2-trimethylbenzamide
PubChem CID118223571
Molecular FormulaC22H25N7O3
Molecular Weight435.49 g/mol
Exact Mass435.20
IUPAC Name4-[[4-(6-amino-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N,2-trimethylbenzamide
SMILESCc1cc(Oc2nc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)ccc1C(=O)N(C)C
InChIInChI=1S/C22H25N7O3/c1-14-12-16(5-6-17(14)20(30)28(2)3)32-22-26-19(15-4-7-18(23)24-13-15)25-21(27-22)29-8-10-31-11-9-29/h4-7,12-13H,8-11H2,1-3H3,(H2,23,24)
InChIKeyXUGOLKWIVPFMMP-UHFFFAOYSA-N
XLogP2.15
TPSA119.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(6-amino-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N,2-trimethylbenzamide?
The IUPAC name of 4-[[4-(6-amino-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N,2-trimethylbenzamide (CID 118223571) is 4-[[4-(6-amino-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N,2-trimethylbenzamide.
What is the SMILES notation for 4-[[4-(6-amino-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N,2-trimethylbenzamide?
The canonical SMILES for 4-[[4-(6-amino-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N,2-trimethylbenzamide is Cc1cc(Oc2nc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)ccc1C(=O)N(C)C.
What is the InChIKey of 4-[[4-(6-amino-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N,2-trimethylbenzamide?
The InChIKey is XUGOLKWIVPFMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3/c1-14-12-16(5-6-17(14)20(30)28(2)3)32-22-26-19(15-4-7-18(23)24-13-15)25-21(27-22)29-8-10-31-11-9-29/h4-7,12-13H,8-11H2,1-3H3,(H2,23,24).
What are the key properties of 4-[[4-(6-amino-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N,2-trimethylbenzamide?
4-[[4-(6-amino-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N,2-trimethylbenzamide has a molecular weight of 435.49 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(6-amino-3-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N,2-trimethylbenzamide is sourced from PubChem (CID 118223571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).