2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride

C21H26Cl2N6O — CID 16955716

IUPAC2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride
SMILESCN(c1ccccc1)c1nc(N2CCOCC2)nc(N(C)c2ccccc2)n1.Cl.Cl
InChIInChI=1S/C21H24N6O.2ClH/c1-25(17-9-5-3-6-10-17)19-22-20(26(2)18-11-7-4-8-12-18)24-21(23-19)27-13-15-28-16-14-27;;/h3-12H,13-16H2,1-2H3;2*1H
InChIKeyOYUJKQLABBGIKH-UHFFFAOYSA-N
MW449.39 g/mol
LogP4.09
Rot. Bonds5

About 2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride

2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride (PubChem CID 16955716) has the molecular formula C21H26Cl2N6O and a molecular weight of 449.39 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride.

Molecular Properties

Compound Name2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride
PubChem CID16955716
Molecular FormulaC21H26Cl2N6O
Molecular Weight449.39 g/mol
Exact Mass448.15
IUPAC Name2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride
SMILESCN(c1ccccc1)c1nc(N2CCOCC2)nc(N(C)c2ccccc2)n1.Cl.Cl
InChIInChI=1S/C21H24N6O.2ClH/c1-25(17-9-5-3-6-10-17)19-22-20(26(2)18-11-7-4-8-12-18)24-21(23-19)27-13-15-28-16-14-27;;/h3-12H,13-16H2,1-2H3;2*1H
InChIKeyOYUJKQLABBGIKH-UHFFFAOYSA-N
XLogP4.09
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride?
The IUPAC name of 2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride (CID 16955716) is 2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride.
What is the SMILES notation for 2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride?
The canonical SMILES for 2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride is CN(c1ccccc1)c1nc(N2CCOCC2)nc(N(C)c2ccccc2)n1.Cl.Cl.
What is the InChIKey of 2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride?
The InChIKey is OYUJKQLABBGIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O.2ClH/c1-25(17-9-5-3-6-10-17)19-22-20(26(2)18-11-7-4-8-12-18)24-21(23-19)27-13-15-28-16-14-27;;/h3-12H,13-16H2,1-2H3;2*1H.
What are the key properties of 2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride?
2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride has a molecular weight of 449.39 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-6-morpholin-4-yl-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine;dihydrochloride is sourced from PubChem (CID 16955716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).