2-N,2-N-diethyl-4-N,6-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine

C19H36N8O2 — CID 117093470

IUPAC2-N,2-N-diethyl-4-N,6-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NCCN2CCOCC2)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C19H36N8O2/c1-3-27(4-2)19-23-17(20-5-7-25-9-13-28-14-10-25)22-18(24-19)21-6-8-26-11-15-29-16-12-26/h3-16H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyMTRQERYZAJWQPC-UHFFFAOYSA-N
MW408.55 g/mol
LogP0.21
Rot. Bonds11

About 2-N,2-N-diethyl-4-N,6-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N-diethyl-4-N,6-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 117093470) has the molecular formula C19H36N8O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N,6-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N,6-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID117093470
Molecular FormulaC19H36N8O2
Molecular Weight408.55 g/mol
Exact Mass408.30
IUPAC Name2-N,2-N-diethyl-4-N,6-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(NCCN2CCOCC2)nc(NCCN2CCOCC2)n1
InChIInChI=1S/C19H36N8O2/c1-3-27(4-2)19-23-17(20-5-7-25-9-13-28-14-10-25)22-18(24-19)21-6-8-26-11-15-29-16-12-26/h3-16H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyMTRQERYZAJWQPC-UHFFFAOYSA-N
XLogP0.21
TPSA90.91 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N,6-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-diethyl-4-N,6-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine (CID 117093470) is 2-N,2-N-diethyl-4-N,6-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N,6-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N,6-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(NCCN2CCOCC2)nc(NCCN2CCOCC2)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N,6-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MTRQERYZAJWQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N8O2/c1-3-27(4-2)19-23-17(20-5-7-25-9-13-28-14-10-25)22-18(24-19)21-6-8-26-11-15-29-16-12-26/h3-16H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 2-N,2-N-diethyl-4-N,6-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-diethyl-4-N,6-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 408.55 g/mol, XLogP of 0.21, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N,6-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 117093470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).