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

C21H24N6O — CID 646369

IUPAC4-N,4-N-dimethyl-6-morpholin-4-yl-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H24N6O/c1-25(2)19-22-20(26-13-15-28-16-14-26)24-21(23-19)27(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3
InChIKeyKMWYDCVNXCAKNT-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.24
Rot. Bonds5

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

4-N,4-N-dimethyl-6-morpholin-4-yl-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine (PubChem CID 646369) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-morpholin-4-yl-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-morpholin-4-yl-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine
PubChem CID646369
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name4-N,4-N-dimethyl-6-morpholin-4-yl-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H24N6O/c1-25(2)19-22-20(26-13-15-28-16-14-26)24-21(23-19)27(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3
InChIKeyKMWYDCVNXCAKNT-UHFFFAOYSA-N
XLogP3.24
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-morpholin-4-yl-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-morpholin-4-yl-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine (CID 646369) is 4-N,4-N-dimethyl-6-morpholin-4-yl-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-morpholin-4-yl-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-morpholin-4-yl-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 4-N,4-N-dimethyl-6-morpholin-4-yl-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is KMWYDCVNXCAKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-25(2)19-22-20(26-13-15-28-16-14-26)24-21(23-19)27(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3.
What are the key properties of 4-N,4-N-dimethyl-6-morpholin-4-yl-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine?
4-N,4-N-dimethyl-6-morpholin-4-yl-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 376.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-morpholin-4-yl-2-N,2-N-diphenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 646369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).