6-chloro-4-N-ethyl-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

C11H19ClN6O — CID 685520

IUPAC6-chloro-4-N-ethyl-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C11H19ClN6O/c1-2-13-10-15-9(12)16-11(17-10)14-3-4-18-5-7-19-8-6-18/h2-8H2,1H3,(H2,13,14,15,16,17)
InChIKeyIEDUNXFGIJDVMM-UHFFFAOYSA-N
MW286.77 g/mol
LogP0.70
Rot. Bonds6

About 6-chloro-4-N-ethyl-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N-ethyl-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 685520) has the molecular formula C11H19ClN6O and a molecular weight of 286.77 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID685520
Molecular FormulaC11H19ClN6O
Molecular Weight286.77 g/mol
Exact Mass286.13
IUPAC Name6-chloro-4-N-ethyl-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C11H19ClN6O/c1-2-13-10-15-9(12)16-11(17-10)14-3-4-18-5-7-19-8-6-18/h2-8H2,1H3,(H2,13,14,15,16,17)
InChIKeyIEDUNXFGIJDVMM-UHFFFAOYSA-N
XLogP0.70
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethyl-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-ethyl-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (CID 685520) is 6-chloro-4-N-ethyl-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-ethyl-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-ethyl-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NCCN2CCOCC2)n1.
What is the InChIKey of 6-chloro-4-N-ethyl-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IEDUNXFGIJDVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN6O/c1-2-13-10-15-9(12)16-11(17-10)14-3-4-18-5-7-19-8-6-18/h2-8H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 6-chloro-4-N-ethyl-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-ethyl-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 286.77 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethyl-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 685520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).