4-[4-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3,5-triazin-2-yl]morpholine

C13H21ClN4O3 — CID 115942025

IUPAC4-[4-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3,5-triazin-2-yl]morpholine
SMILESCC(C)(C)OCCOc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C13H21ClN4O3/c1-13(2,3)21-9-8-20-12-16-10(14)15-11(17-12)18-4-6-19-7-5-18/h4-9H2,1-3H3
InChIKeyOUPVMIVSVZAJBW-UHFFFAOYSA-N
MW316.79 g/mol
LogP1.56
Rot. Bonds5

About 4-[4-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3,5-triazin-2-yl]morpholine

4-[4-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3,5-triazin-2-yl]morpholine (PubChem CID 115942025) has the molecular formula C13H21ClN4O3 and a molecular weight of 316.79 g/mol. Its IUPAC name is 4-[4-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3,5-triazin-2-yl]morpholine
PubChem CID115942025
Molecular FormulaC13H21ClN4O3
Molecular Weight316.79 g/mol
Exact Mass316.13
IUPAC Name4-[4-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3,5-triazin-2-yl]morpholine
SMILESCC(C)(C)OCCOc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C13H21ClN4O3/c1-13(2,3)21-9-8-20-12-16-10(14)15-11(17-12)18-4-6-19-7-5-18/h4-9H2,1-3H3
InChIKeyOUPVMIVSVZAJBW-UHFFFAOYSA-N
XLogP1.56
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[4-chloro-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine
CID 63685639
4-[4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-yl]morpholine
CID 62870302
4-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine
CID 62869816
4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine
CID 62869428
1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)azepane
CID 62869524
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride
CID 173009515
4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine
CID 62869818
4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62868206
2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine
CID 62869646
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
2-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]ethanol
CID 80866849
2-chloro-4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine
CID 82789263

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3,5-triazin-2-yl]morpholine (CID 115942025) is 4-[4-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3,5-triazin-2-yl]morpholine is CC(C)(C)OCCOc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3,5-triazin-2-yl]morpholine?
The InChIKey is OUPVMIVSVZAJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O3/c1-13(2,3)21-9-8-20-12-16-10(14)15-11(17-12)18-4-6-19-7-5-18/h4-9H2,1-3H3.
What are the key properties of 4-[4-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3,5-triazin-2-yl]morpholine?
4-[4-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3,5-triazin-2-yl]morpholine has a molecular weight of 316.79 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 115942025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).