1-[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone

C19H24N6O3 — CID 1110835

IUPAC1-[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H24N6O3/c1-14(26)15-2-4-16(5-3-15)20-17-21-18(24-6-10-27-11-7-24)23-19(22-17)25-8-12-28-13-9-25/h2-5H,6-13H2,1H3,(H,20,21,22,23)
InChIKeyNZIJCSMUSPMLGS-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.49
Rot. Bonds5

About 1-[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone

1-[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone (PubChem CID 1110835) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone
PubChem CID1110835
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name1-[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C19H24N6O3/c1-14(26)15-2-4-16(5-3-15)20-17-21-18(24-6-10-27-11-7-24)23-19(22-17)25-8-12-28-13-9-25/h2-5H,6-13H2,1H3,(H,20,21,22,23)
InChIKeyNZIJCSMUSPMLGS-UHFFFAOYSA-N
XLogP1.49
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-[[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]benzamide
CID 44473371
4-(3-(4-(4,6-Dimorpholino-1,3,5-triazin-2-yl)phenyl)ureido)-N-methylbenzamide
CID 44516310
N-(2-(dimethylamino)ethyl)-4-(3-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)ureido)-N-methylbenzamide hydrochloride
CID 45379226
4-(3-(4-(4,6-bis((R)-3-methylmorpholino)-1,3,5-triazin-2-yl)phenyl)ureido)-N,N-dimethylbenzamide
CID 46866605
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 1117926
N-(4-ethylphenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 18580226
1-[4-(4-Isopropoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-{4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea
CID 44517288
4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-(2-piperidin-1-ylethyl)benzamide
CID 56670464
1-[4-(4-Methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 56677283
Methyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoate;hydrochloride
CID 16810774
N-(3,4-dimethylphenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 18580227
4,6-dimorpholino-N-(o-tolyl)-1,3,5-triazin-2-amine hydrochloride
CID 18580239

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone (CID 1110835) is 1-[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone is CC(=O)c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 1-[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone?
The InChIKey is NZIJCSMUSPMLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-14(26)15-2-4-16(5-3-15)20-17-21-18(24-6-10-27-11-7-24)23-19(22-17)25-8-12-28-13-9-25/h2-5H,6-13H2,1H3,(H,20,21,22,23).
What are the key properties of 1-[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone?
1-[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone has a molecular weight of 384.44 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone is sourced from PubChem (CID 1110835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).