4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzamide

C20H21N7O2 — CID 35871285

IUPAC4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H21N7O2/c21-17(28)14-6-8-16(9-7-14)23-19-24-18(22-15-4-2-1-3-5-15)25-20(26-19)27-10-12-29-13-11-27/h1-9H,10-13H2,(H2,21,28)(H2,22,23,24,25,26)
InChIKeyNDAVCEBHDSTBLA-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.29
Rot. Bonds6

About 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzamide

4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzamide (PubChem CID 35871285) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzamide
PubChem CID35871285
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H21N7O2/c21-17(28)14-6-8-16(9-7-14)23-19-24-18(22-15-4-2-1-3-5-15)25-20(26-19)27-10-12-29-13-11-27/h1-9H,10-13H2,(H2,21,28)(H2,22,23,24,25,26)
InChIKeyNDAVCEBHDSTBLA-UHFFFAOYSA-N
XLogP2.29
TPSA118.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzamide?
The IUPAC name of 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzamide (CID 35871285) is 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzamide.
What is the SMILES notation for 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzamide?
The canonical SMILES for 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzamide is NC(=O)c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzamide?
The InChIKey is NDAVCEBHDSTBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c21-17(28)14-6-8-16(9-7-14)23-19-24-18(22-15-4-2-1-3-5-15)25-20(26-19)27-10-12-29-13-11-27/h1-9H,10-13H2,(H2,21,28)(H2,22,23,24,25,26).
What are the key properties of 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzamide?
4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzamide has a molecular weight of 391.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]benzamide is sourced from PubChem (CID 35871285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).