4,6-bis(4-methylmorpholin-4-ium-4-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine

C19H36N6O2+2 — CID 162403943

IUPAC4,6-bis(4-methylmorpholin-4-ium-4-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)N(c1nc([N+]2(C)CCOCC2)nc([N+]2(C)CCOCC2)n1)C(C)C
InChIInChI=1S/C19H36N6O2/c1-15(2)23(16(3)4)17-20-18(24(5)7-11-26-12-8-24)22-19(21-17)25(6)9-13-27-14-10-25/h15-16H,7-14H2,1-6H3/q+2
InChIKeyCMYPCFAFSIQSQT-UHFFFAOYSA-N
MW380.54 g/mol
LogP1.43
Rot. Bonds5

About 4,6-bis(4-methylmorpholin-4-ium-4-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine

4,6-bis(4-methylmorpholin-4-ium-4-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 162403943) has the molecular formula C19H36N6O2+2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 4,6-bis(4-methylmorpholin-4-ium-4-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(4-methylmorpholin-4-ium-4-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine
PubChem CID162403943
Molecular FormulaC19H36N6O2+2
Molecular Weight380.54 g/mol
Exact Mass380.29
IUPAC Name4,6-bis(4-methylmorpholin-4-ium-4-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)N(c1nc([N+]2(C)CCOCC2)nc([N+]2(C)CCOCC2)n1)C(C)C
InChIInChI=1S/C19H36N6O2/c1-15(2)23(16(3)4)17-20-18(24(5)7-11-26-12-8-24)22-19(21-17)25(6)9-13-27-14-10-25/h15-16H,7-14H2,1-6H3/q+2
InChIKeyCMYPCFAFSIQSQT-UHFFFAOYSA-N
XLogP1.43
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 4,6-bis(4-methylmorpholin-4-ium-4-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-methylmorpholin-4-ium-4-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(4-methylmorpholin-4-ium-4-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine (CID 162403943) is 4,6-bis(4-methylmorpholin-4-ium-4-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(4-methylmorpholin-4-ium-4-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(4-methylmorpholin-4-ium-4-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine is CC(C)N(c1nc([N+]2(C)CCOCC2)nc([N+]2(C)CCOCC2)n1)C(C)C.
What is the InChIKey of 4,6-bis(4-methylmorpholin-4-ium-4-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is CMYPCFAFSIQSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N6O2/c1-15(2)23(16(3)4)17-20-18(24(5)7-11-26-12-8-24)22-19(21-17)25(6)9-13-27-14-10-25/h15-16H,7-14H2,1-6H3/q+2.
What are the key properties of 4,6-bis(4-methylmorpholin-4-ium-4-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine?
4,6-bis(4-methylmorpholin-4-ium-4-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 380.54 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-methylmorpholin-4-ium-4-yl)-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 162403943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).