4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-(2-phenoxyethyl)-1,3,5-triazine-2,4-diamine

C24H37N7O2 — CID 117088330

IUPAC4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-(2-phenoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NCCOc2ccccc2)nc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C24H37N7O2/c1-3-29(4-2)23-26-22(25-12-17-33-21-8-6-5-7-9-21)27-24(28-23)31-13-10-20(11-14-31)30-15-18-32-19-16-30/h5-9,20H,3-4,10-19H2,1-2H3,(H,25,26,27,28)
InChIKeyIBXZIJHOTSVPKC-UHFFFAOYSA-N
MW455.61 g/mol
LogP2.51
Rot. Bonds10

About 4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-(2-phenoxyethyl)-1,3,5-triazine-2,4-diamine

4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-(2-phenoxyethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 117088330) has the molecular formula C24H37N7O2 and a molecular weight of 455.61 g/mol. Its IUPAC name is 4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-(2-phenoxyethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-(2-phenoxyethyl)-1,3,5-triazine-2,4-diamine
PubChem CID117088330
Molecular FormulaC24H37N7O2
Molecular Weight455.61 g/mol
Exact Mass455.30
IUPAC Name4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-(2-phenoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NCCOc2ccccc2)nc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C24H37N7O2/c1-3-29(4-2)23-26-22(25-12-17-33-21-8-6-5-7-9-21)27-24(28-23)31-13-10-20(11-14-31)30-15-18-32-19-16-30/h5-9,20H,3-4,10-19H2,1-2H3,(H,25,26,27,28)
InChIKeyIBXZIJHOTSVPKC-UHFFFAOYSA-N
XLogP2.51
TPSA78.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-(2-phenoxyethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-(2-phenoxyethyl)-1,3,5-triazine-2,4-diamine (CID 117088330) is 4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-(2-phenoxyethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-(2-phenoxyethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-(2-phenoxyethyl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NCCOc2ccccc2)nc(N2CCC(N3CCOCC3)CC2)n1.
What is the InChIKey of 4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-(2-phenoxyethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is IBXZIJHOTSVPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N7O2/c1-3-29(4-2)23-26-22(25-12-17-33-21-8-6-5-7-9-21)27-24(28-23)31-13-10-20(11-14-31)30-15-18-32-19-16-30/h5-9,20H,3-4,10-19H2,1-2H3,(H,25,26,27,28).
What are the key properties of 4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-(2-phenoxyethyl)-1,3,5-triazine-2,4-diamine?
4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-(2-phenoxyethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 455.61 g/mol, XLogP of 2.51, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-2-N-(2-phenoxyethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 117088330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).