2-N,4-N-bis(2-ethylhexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C23H44N6O — CID 23295153

IUPAC2-N,4-N-bis(2-ethylhexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCC(CC)CNc1nc(NCC(CC)CCCC)nc(N2CCOCC2)n1
InChIInChI=1S/C23H44N6O/c1-5-9-11-19(7-3)17-24-21-26-22(25-18-20(8-4)12-10-6-2)28-23(27-21)29-13-15-30-16-14-29/h19-20H,5-18H2,1-4H3,(H2,24,25,26,27,28)
InChIKeyPMXXMBDGIHTPQO-UHFFFAOYSA-N
MW420.65 g/mol
LogP4.96
Rot. Bonds15

About 2-N,4-N-bis(2-ethylhexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(2-ethylhexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 23295153) has the molecular formula C23H44N6O and a molecular weight of 420.65 g/mol. Its IUPAC name is 2-N,4-N-bis(2-ethylhexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(2-ethylhexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID23295153
Molecular FormulaC23H44N6O
Molecular Weight420.65 g/mol
Exact Mass420.36
IUPAC Name2-N,4-N-bis(2-ethylhexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCC(CC)CNc1nc(NCC(CC)CCCC)nc(N2CCOCC2)n1
InChIInChI=1S/C23H44N6O/c1-5-9-11-19(7-3)17-24-21-26-22(25-18-20(8-4)12-10-6-2)28-23(27-21)29-13-15-30-16-14-29/h19-20H,5-18H2,1-4H3,(H2,24,25,26,27,28)
InChIKeyPMXXMBDGIHTPQO-UHFFFAOYSA-N
XLogP4.96
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.65
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2-ethylhexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(2-ethylhexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 23295153) is 2-N,4-N-bis(2-ethylhexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(2-ethylhexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(2-ethylhexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CCCCC(CC)CNc1nc(NCC(CC)CCCC)nc(N2CCOCC2)n1.
What is the InChIKey of 2-N,4-N-bis(2-ethylhexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is PMXXMBDGIHTPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N6O/c1-5-9-11-19(7-3)17-24-21-26-22(25-18-20(8-4)12-10-6-2)28-23(27-21)29-13-15-30-16-14-29/h19-20H,5-18H2,1-4H3,(H2,24,25,26,27,28).
What are the key properties of 2-N,4-N-bis(2-ethylhexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(2-ethylhexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 420.65 g/mol, XLogP of 4.96, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2-ethylhexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23295153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).