6-N-(2-methoxyethyl)-2-N,4-N-bis(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine

C20H38N8O3 — CID 71853074

IUPAC6-N-(2-methoxyethyl)-2-N,4-N-bis(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCOCCNc1nc(NC(C)CN2CCOCC2)nc(NC(C)CN2CCOCC2)n1
InChIInChI=1S/C20H38N8O3/c1-16(14-27-5-10-30-11-6-27)22-19-24-18(21-4-9-29-3)25-20(26-19)23-17(2)15-28-7-12-31-13-8-28/h16-17H,4-15H2,1-3H3,(H3,21,22,23,24,25,26)
InChIKeySZCLSIMHLCKISO-UHFFFAOYSA-N
MW438.58 g/mol
LogP0.20
Rot. Bonds12

About 6-N-(2-methoxyethyl)-2-N,4-N-bis(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine

6-N-(2-methoxyethyl)-2-N,4-N-bis(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 71853074) has the molecular formula C20H38N8O3 and a molecular weight of 438.58 g/mol. Its IUPAC name is 6-N-(2-methoxyethyl)-2-N,4-N-bis(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(2-methoxyethyl)-2-N,4-N-bis(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID71853074
Molecular FormulaC20H38N8O3
Molecular Weight438.58 g/mol
Exact Mass438.31
IUPAC Name6-N-(2-methoxyethyl)-2-N,4-N-bis(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCOCCNc1nc(NC(C)CN2CCOCC2)nc(NC(C)CN2CCOCC2)n1
InChIInChI=1S/C20H38N8O3/c1-16(14-27-5-10-30-11-6-27)22-19-24-18(21-4-9-29-3)25-20(26-19)23-17(2)15-28-7-12-31-13-8-28/h16-17H,4-15H2,1-3H3,(H3,21,22,23,24,25,26)
InChIKeySZCLSIMHLCKISO-UHFFFAOYSA-N
XLogP0.20
TPSA108.93 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.58
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 6-N-(2-methoxyethyl)-2-N,4-N-bis(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

4,6-dimorpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 2057546
N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 767098
6-Ethoxy-N-isopropyl-N'-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4-diamine
CID 767097
6-Chloro-N4-[2-(morpholin-4-YL)ethyl]-N2,N2-dipropyl-1,3,5-triazine-2,4-diamine
CID 783135
2,4-Di(4-morpholinyl)-6-(1-piperazinyl)-1,3,5-triazine
CID 535673
N-ethyl-4-[4-[2-(ethylamino)morpholin-4-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholin-2-amine
CID 49862875
N-ethyl-4-[4-[3-(ethylamino)morpholin-4-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholin-3-amine
CID 49862876
N-cyclopentyl-4,6-dimorpholino-1,3,5-triazin-2-amine
CID 7589329
Cambridge id 5354217
CID 779717
2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 124848002
N-cyclopropyl-4,6-bis[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-amine
CID 138022924
2-N-fluoro-4-N-[2-[[4-(fluoroamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propyl]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18343906

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methoxyethyl)-2-N,4-N-bis(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-(2-methoxyethyl)-2-N,4-N-bis(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine (CID 71853074) is 6-N-(2-methoxyethyl)-2-N,4-N-bis(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-(2-methoxyethyl)-2-N,4-N-bis(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-(2-methoxyethyl)-2-N,4-N-bis(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine is COCCNc1nc(NC(C)CN2CCOCC2)nc(NC(C)CN2CCOCC2)n1.
What is the InChIKey of 6-N-(2-methoxyethyl)-2-N,4-N-bis(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SZCLSIMHLCKISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N8O3/c1-16(14-27-5-10-30-11-6-27)22-19-24-18(21-4-9-29-3)25-20(26-19)23-17(2)15-28-7-12-31-13-8-28/h16-17H,4-15H2,1-3H3,(H3,21,22,23,24,25,26).
What are the key properties of 6-N-(2-methoxyethyl)-2-N,4-N-bis(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine?
6-N-(2-methoxyethyl)-2-N,4-N-bis(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 438.58 g/mol, XLogP of 0.20, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methoxyethyl)-2-N,4-N-bis(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 71853074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).