4-chloro-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine

C13H21ClN6O2 — CID 872540

IUPAC4-chloro-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
SMILESClc1nc(NCCN2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H21ClN6O2/c14-11-16-12(15-1-2-19-3-7-21-8-4-19)18-13(17-11)20-5-9-22-10-6-20/h1-10H2,(H,15,16,17,18)
InChIKeyMTHDBBSRLITXIJ-UHFFFAOYSA-N
MW328.80 g/mol
LogP0.11
Rot. Bonds5

About 4-chloro-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine

4-chloro-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine (PubChem CID 872540) has the molecular formula C13H21ClN6O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-chloro-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
PubChem CID872540
Molecular FormulaC13H21ClN6O2
Molecular Weight328.80 g/mol
Exact Mass328.14
IUPAC Name4-chloro-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
SMILESClc1nc(NCCN2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H21ClN6O2/c14-11-16-12(15-1-2-19-3-7-21-8-4-19)18-13(17-11)20-5-9-22-10-6-20/h1-10H2,(H,15,16,17,18)
InChIKeyMTHDBBSRLITXIJ-UHFFFAOYSA-N
XLogP0.11
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine (CID 872540) is 4-chloro-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine is Clc1nc(NCCN2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-chloro-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine?
The InChIKey is MTHDBBSRLITXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN6O2/c14-11-16-12(15-1-2-19-3-7-21-8-4-19)18-13(17-11)20-5-9-22-10-6-20/h1-10H2,(H,15,16,17,18).
What are the key properties of 4-chloro-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine?
4-chloro-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine has a molecular weight of 328.80 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 872540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).