6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine

C16H22N6O2 — CID 694565

IUPAC6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(NCCN2CCOCC2)nc(Nc2ccccc2)n1
InChIInChI=1S/C16H22N6O2/c1-23-16-20-14(17-7-8-22-9-11-24-12-10-22)19-15(21-16)18-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H2,17,18,19,20,21)
InChIKeyBZCMSIGULULGRE-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.37
Rot. Bonds7

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

6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 694565) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID694565
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(NCCN2CCOCC2)nc(Nc2ccccc2)n1
InChIInChI=1S/C16H22N6O2/c1-23-16-20-14(17-7-8-22-9-11-24-12-10-22)19-15(21-16)18-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H2,17,18,19,20,21)
InChIKeyBZCMSIGULULGRE-UHFFFAOYSA-N
XLogP1.37
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 694565) is 6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine is COc1nc(NCCN2CCOCC2)nc(Nc2ccccc2)n1.
What is the InChIKey of 6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BZCMSIGULULGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-23-16-20-14(17-7-8-22-9-11-24-12-10-22)19-15(21-16)18-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 330.39 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-(2-morpholin-4-ylethyl)-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 694565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).