2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine

C13H20ClN5O — CID 62869646

IUPAC2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine
SMILESClc1nc(OCCN2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C13H20ClN5O/c14-11-15-12(19-7-3-4-8-19)17-13(16-11)20-10-9-18-5-1-2-6-18/h1-10H2
InChIKeyNZUILURSXGFKRG-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.60
Rot. Bonds5

About 2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine

2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine (PubChem CID 62869646) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine
PubChem CID62869646
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine
SMILESClc1nc(OCCN2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C13H20ClN5O/c14-11-15-12(19-7-3-4-8-19)17-13(16-11)20-10-9-18-5-1-2-6-18/h1-10H2
InChIKeyNZUILURSXGFKRG-UHFFFAOYSA-N
XLogP1.60
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-chloro-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-yl]morpholine
CID 62869816
1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)azepane
CID 62869524
4-chloro-N,N-dimethyl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-amine
CID 62869815
2-chloro-4-pyrrolidin-1-yl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine
CID 82789263
2-chloro-4-pent-4-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine
CID 79113919
2-chloro-4-(2-methylpropoxy)-6-piperidin-1-yl-1,3,5-triazine
CID 62870467
4-chloro-N-ethyl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-amine
CID 80870825
2-chloro-4-(oxolan-3-ylmethoxy)-6-piperidin-1-yl-1,3,5-triazine
CID 62869308
2-chloro-4-(3-methoxypiperidin-1-yl)-6-propoxy-1,3,5-triazine
CID 102963297
2-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-6-propoxy-1,3,5-triazine
CID 107394111
4-[4-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3,5-triazin-2-yl]morpholine
CID 115942025
4-[4-chloro-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]morpholine
CID 63685639

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine (CID 62869646) is 2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine is Clc1nc(OCCN2CCCC2)nc(N2CCCC2)n1.
What is the InChIKey of 2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine?
The InChIKey is NZUILURSXGFKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O/c14-11-15-12(19-7-3-4-8-19)17-13(16-11)20-10-9-18-5-1-2-6-18/h1-10H2.
What are the key properties of 2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine?
2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine has a molecular weight of 297.79 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine is sourced from PubChem (CID 62869646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).