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

C13H20ClN5O2 — CID 62869816

IUPAC4-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine
SMILESClc1nc(OCCN2CCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H20ClN5O2/c14-11-15-12(19-6-8-20-9-7-19)17-13(16-11)21-10-5-18-3-1-2-4-18/h1-10H2
InChIKeyNIRYSQXGGFTKKG-UHFFFAOYSA-N
MW313.79 g/mol
LogP0.84
Rot. Bonds5

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

4-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine (PubChem CID 62869816) has the molecular formula C13H20ClN5O2 and a molecular weight of 313.79 g/mol. Its IUPAC name is 4-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine
PubChem CID62869816
Molecular FormulaC13H20ClN5O2
Molecular Weight313.79 g/mol
Exact Mass313.13
IUPAC Name4-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine
SMILESClc1nc(OCCN2CCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H20ClN5O2/c14-11-15-12(19-6-8-20-9-7-19)17-13(16-11)21-10-5-18-3-1-2-4-18/h1-10H2
InChIKeyNIRYSQXGGFTKKG-UHFFFAOYSA-N
XLogP0.84
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine
CID 62869646
4-[4-chloro-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine
CID 63685639
4-[4-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3,5-triazin-2-yl]morpholine
CID 115942025
N-ethyl-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine
CID 110178646
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-(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-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-yl]methyldiazene
CID 91307126
4-chloro-N,N-dimethyl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-amine
CID 62869815
4-[4-chloro-6-[(2-methylpropan-2-yl)oxy]-1,3,5-triazin-2-yl]morpholine
CID 62870302
4-[4-chloro-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]morpholine
CID 62869818
4-chloro-N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-amine
CID 80870825

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine (CID 62869816) is 4-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine is Clc1nc(OCCN2CCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is NIRYSQXGGFTKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O2/c14-11-15-12(19-6-8-20-9-7-19)17-13(16-11)21-10-5-18-3-1-2-4-18/h1-10H2.
What are the key properties of 4-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine?
4-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 313.79 g/mol, XLogP of 0.84, 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-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 62869816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).