4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)aniline

C17H22N6O2 — CID 45379087

IUPAC4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)aniline
SMILESNc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H22N6O2/c18-14-3-1-13(2-4-14)15-19-16(22-5-9-24-10-6-22)21-17(20-15)23-7-11-25-12-8-23/h1-4H,5-12,18H2
InChIKeyOGMSQGCPVLGNIG-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.79
Rot. Bonds3

About 4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)aniline

4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)aniline (PubChem CID 45379087) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)aniline.

Molecular Properties

Compound Name4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)aniline
PubChem CID45379087
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)aniline
SMILESNc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H22N6O2/c18-14-3-1-13(2-4-14)15-19-16(22-5-9-24-10-6-22)21-17(20-15)23-7-11-25-12-8-23/h1-4H,5-12,18H2
InChIKeyOGMSQGCPVLGNIG-UHFFFAOYSA-N
XLogP0.79
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 1117926
(6-Methyl-2-morpholin-4-yl-pyrimidin-4-yl)-p-tolyl-amine
CID 1868950
N-(4-ethylphenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 18580226
1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
CID 44513886
1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-methylphenyl)urea
CID 44513888
1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(4-fluorophenyl)urea
CID 44514201
(4-Chlorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea
CID 44514203
(2,4-Difluorophenyl)-3-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]urea
CID 44514205
1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-ethylurea
CID 44514481
1-[4-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-phenyl]-3-[4-(1-hydroxyethyl)phenyl]urea
CID 44515083
1-(4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)phenyl)-3-methylurea
CID 45379222
1-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)-3-(4-(4-methylpiperazin-1-yl)phenyl)urea
CID 46884585

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)aniline?
The IUPAC name of 4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)aniline (CID 45379087) is 4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)aniline.
What is the SMILES notation for 4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)aniline?
The canonical SMILES for 4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)aniline is Nc1ccc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)aniline?
The InChIKey is OGMSQGCPVLGNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c18-14-3-1-13(2-4-14)15-19-16(22-5-9-24-10-6-22)21-17(20-15)23-7-11-25-12-8-23/h1-4H,5-12,18H2.
What are the key properties of 4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)aniline?
4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)aniline has a molecular weight of 342.40 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)aniline is sourced from PubChem (CID 45379087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).