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

C12H19ClN4O3 — CID 63685639

IUPAC4-[4-chloro-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine
SMILESCCCOCCOc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C12H19ClN4O3/c1-2-5-18-8-9-20-12-15-10(13)14-11(16-12)17-3-6-19-7-4-17/h2-9H2,1H3
InChIKeyXDIVXBLXPOHSCK-UHFFFAOYSA-N
MW302.76 g/mol
LogP1.17
Rot. Bonds7

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

4-[4-chloro-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine (PubChem CID 63685639) has the molecular formula C12H19ClN4O3 and a molecular weight of 302.76 g/mol. Its IUPAC name is 4-[4-chloro-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine
PubChem CID63685639
Molecular FormulaC12H19ClN4O3
Molecular Weight302.76 g/mol
Exact Mass302.11
IUPAC Name4-[4-chloro-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine
SMILESCCCOCCOc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C12H19ClN4O3/c1-2-5-18-8-9-20-12-15-10(13)14-11(16-12)17-3-6-19-7-4-17/h2-9H2,1H3
InChIKeyXDIVXBLXPOHSCK-UHFFFAOYSA-N
XLogP1.17
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 51.17
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-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3,5-triazin-2-yl]morpholine
CID 115942025
1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)azepane
CID 62869524
4-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine
CID 62869816
4-[4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-yl]morpholine
CID 62870302
2-chloro-4-(2-propoxyethoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 63685456
4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine
CID 62869428
4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80862100
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-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-1,4-diazepan-2-one
CID 65363708
4-(4-chloro-6-propylsulfanyl-1,3,5-triazin-2-yl)morpholine
CID 62867376
2-chloro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-6-propoxy-1,3,5-triazine
CID 64597022

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine (CID 63685639) is 4-[4-chloro-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine is CCCOCCOc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-chloro-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is XDIVXBLXPOHSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O3/c1-2-5-18-8-9-20-12-15-10(13)14-11(16-12)17-3-6-19-7-4-17/h2-9H2,1H3.
What are the key properties of 4-[4-chloro-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine?
4-[4-chloro-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 302.76 g/mol, XLogP of 1.17, 7 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-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 63685639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).