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

C19H25ClN6O3 — CID 18580221

IUPAC1-[3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone;hydrochloride
SMILESCC(=O)c1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1.Cl
InChIInChI=1S/C19H24N6O3.ClH/c1-14(26)15-3-2-4-16(13-15)20-17-21-18(24-5-9-27-10-6-24)23-19(22-17)25-7-11-28-12-8-25;/h2-4,13H,5-12H2,1H3,(H,20,21,22,23);1H
InChIKeyHEUALOXUBKYYBN-UHFFFAOYSA-N
MW420.90 g/mol
LogP1.91
Rot. Bonds5

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

1-[3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone;hydrochloride (PubChem CID 18580221) has the molecular formula C19H25ClN6O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is 1-[3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone;hydrochloride
PubChem CID18580221
Molecular FormulaC19H25ClN6O3
Molecular Weight420.90 g/mol
Exact Mass420.17
IUPAC Name1-[3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone;hydrochloride
SMILESCC(=O)c1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1.Cl
InChIInChI=1S/C19H24N6O3.ClH/c1-14(26)15-3-2-4-16(13-15)20-17-21-18(24-5-9-27-10-6-24)23-19(22-17)25-7-11-28-12-8-25;/h2-4,13H,5-12H2,1H3,(H,20,21,22,23);1H
InChIKeyHEUALOXUBKYYBN-UHFFFAOYSA-N
XLogP1.91
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone;hydrochloride with MolForge

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Related Compounds

CID 1117926
CID 1117926
CID 1089222
CID 1089222
CID 18580226
CID 18580226
CID 1078713
CID 1078713
CID 1252665
CID 1252665
CID 18580227
CID 18580227
CID 18580239
CID 18580239
CID 57519528
CID 57519528
CID 137635504
CID 137635504
CID 1353607
CID 1353607
CID 16832665
CID 16832665
CID 18580233
CID 18580233

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone;hydrochloride (CID 18580221) is 1-[3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone;hydrochloride is CC(=O)c1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1.Cl.
What is the InChIKey of 1-[3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone;hydrochloride?
The InChIKey is HEUALOXUBKYYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3.ClH/c1-14(26)15-3-2-4-16(13-15)20-17-21-18(24-5-9-27-10-6-24)23-19(22-17)25-7-11-28-12-8-25;/h2-4,13H,5-12H2,1H3,(H,20,21,22,23);1H.
What are the key properties of 1-[3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone;hydrochloride?
1-[3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone;hydrochloride has a molecular weight of 420.90 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]phenyl]ethanone;hydrochloride is sourced from PubChem (CID 18580221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).