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

C15H27ClN6O — CID 783135

IUPAC6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CCC)c1nc(Cl)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C15H27ClN6O/c1-3-6-22(7-4-2)15-19-13(16)18-14(20-15)17-5-8-21-9-11-23-12-10-21/h3-12H2,1-2H3,(H,17,18,19,20)
InChIKeyXIFOMDGKXWMWAT-UHFFFAOYSA-N
MW342.88 g/mol
LogP1.90
Rot. Bonds9

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

6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine (PubChem CID 783135) has the molecular formula C15H27ClN6O and a molecular weight of 342.88 g/mol. Its IUPAC name is 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
PubChem CID783135
Molecular FormulaC15H27ClN6O
Molecular Weight342.88 g/mol
Exact Mass342.19
IUPAC Name6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
SMILESCCCN(CCC)c1nc(Cl)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C15H27ClN6O/c1-3-6-22(7-4-2)15-19-13(16)18-14(20-15)17-5-8-21-9-11-23-12-10-21/h3-12H2,1-2H3,(H,17,18,19,20)
InChIKeyXIFOMDGKXWMWAT-UHFFFAOYSA-N
XLogP1.90
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.88
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine (CID 783135) is 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine is CCCN(CCC)c1nc(Cl)nc(NCCN2CCOCC2)n1.
What is the InChIKey of 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XIFOMDGKXWMWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN6O/c1-3-6-22(7-4-2)15-19-13(16)18-14(20-15)17-5-8-21-9-11-23-12-10-21/h3-12H2,1-2H3,(H,17,18,19,20).
What are the key properties of 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine has a molecular weight of 342.88 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-morpholin-4-ylethyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 783135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).