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

C12H17ClN4O3 — CID 62869818

IUPAC4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine
SMILESClc1nc(OC2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H17ClN4O3/c13-10-14-11(17-3-7-19-8-4-17)16-12(15-10)20-9-1-5-18-6-2-9/h9H,1-8H2
InChIKeyRNNOHYQPFWRDLC-UHFFFAOYSA-N
MW300.75 g/mol
LogP0.92
Rot. Bonds3

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

4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine (PubChem CID 62869818) has the molecular formula C12H17ClN4O3 and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine
PubChem CID62869818
Molecular FormulaC12H17ClN4O3
Molecular Weight300.75 g/mol
Exact Mass300.10
IUPAC Name4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine
SMILESClc1nc(OC2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C12H17ClN4O3/c13-10-14-11(17-3-7-19-8-4-17)16-12(15-10)20-9-1-5-18-6-2-9/h9H,1-8H2
InChIKeyRNNOHYQPFWRDLC-UHFFFAOYSA-N
XLogP0.92
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine
CID 80873023
4-[4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-yl]morpholine
CID 62870302
4-cyclohexyloxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80858635
4-cyclobutyloxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80872862
(4-cyclopentyloxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazine
CID 80909749
4-[4-chloro-6-(oxan-2-ylmethoxy)-1,3,5-triazin-2-yl]morpholine
CID 62869428
4-[4-chloro-6-(3-methoxypyrrolidin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 103536614
[4-(oxan-4-yloxy)-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80911618
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)morpholine;2,4,6-trichloro-1,3,5-triazine;hydrochloride
CID 173009515
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
4-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine
CID 62869816
4-[4-chloro-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine
CID 63685639

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine (CID 62869818) is 4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine is Clc1nc(OC2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is RNNOHYQPFWRDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O3/c13-10-14-11(17-3-7-19-8-4-17)16-12(15-10)20-9-1-5-18-6-2-9/h9H,1-8H2.
What are the key properties of 4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine?
4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 300.75 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 62869818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).