4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride

C12H15Cl4N7O3 — CID 173009515

IUPAC4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride
SMILESCOc1nc(OC)nc(N2CCOCC2)n1.Cl.Clc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H14N4O3.C3Cl3N3.ClH/c1-14-8-10-7(11-9(12-8)15-2)13-3-5-16-6-4-13;4-1-7-2(5)9-3(6)8-1;/h3-6H2,1-2H3;;1H
InChIKeyYALNYFXSHKIADN-UHFFFAOYSA-N
MW447.11 g/mol
LogP1.98
Rot. Bonds3

About 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride

4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride (PubChem CID 173009515) has the molecular formula C12H15Cl4N7O3 and a molecular weight of 447.11 g/mol. Its IUPAC name is 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride.

Molecular Properties

Compound Name4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride
PubChem CID173009515
Molecular FormulaC12H15Cl4N7O3
Molecular Weight447.11 g/mol
Exact Mass445.00
IUPAC Name4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride
SMILESCOc1nc(OC)nc(N2CCOCC2)n1.Cl.Clc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H14N4O3.C3Cl3N3.ClH/c1-14-8-10-7(11-9(12-8)15-2)13-3-5-16-6-4-13;4-1-7-2(5)9-3(6)8-1;/h3-6H2,1-2H3;;1H
InChIKeyYALNYFXSHKIADN-UHFFFAOYSA-N
XLogP1.98
TPSA108.27 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.11
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride with MolForge

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Related Compounds

(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)-trimethylazanium chloride
CID 11335249
4-[4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-yl]morpholine
CID 62870302
4-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]morpholine
CID 63171298
N-[4-[2-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenyl]ethenyl]phenyl]-4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 173062863
2,4-dimethoxy-6-[4-(oxan-4-yl)piperazin-1-yl]-1,3,5-triazine
CID 50956205
4-methoxy-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 1077239
4-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-dimethylmorpholine
CID 55124122
4-methoxy-N-methyl-6-(1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
CID 80823279
4-(4-azido-6-methoxy-1,3,5-triazin-2-yl)morpholine
CID 4550609
4-methoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 80766525
4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine
CID 62869818
4-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 45133473

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride?
The IUPAC name of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride (CID 173009515) is 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride.
What is the SMILES notation for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride?
The canonical SMILES for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride is COc1nc(OC)nc(N2CCOCC2)n1.Cl.Clc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride?
The InChIKey is YALNYFXSHKIADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3.C3Cl3N3.ClH/c1-14-8-10-7(11-9(12-8)15-2)13-3-5-16-6-4-13;4-1-7-2(5)9-3(6)8-1;/h3-6H2,1-2H3;;1H.
What are the key properties of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride?
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride has a molecular weight of 447.11 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride is sourced from PubChem (CID 173009515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).