2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine

C24H46N8O — CID 117087192

IUPAC2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NCCN(C(C)C)C(C)C)nc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C24H46N8O/c1-7-29(8-2)23-26-22(25-11-14-32(19(3)4)20(5)6)27-24(28-23)31-12-9-21(10-13-31)30-15-17-33-18-16-30/h19-21H,7-18H2,1-6H3,(H,25,26,27,28)
InChIKeyJQMWQLJRYKOLLW-UHFFFAOYSA-N
MW462.69 g/mol
LogP2.55
Rot. Bonds11

About 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine

2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 117087192) has the molecular formula C24H46N8O and a molecular weight of 462.69 g/mol. Its IUPAC name is 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID117087192
Molecular FormulaC24H46N8O
Molecular Weight462.69 g/mol
Exact Mass462.38
IUPAC Name2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NCCN(C(C)C)C(C)C)nc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C24H46N8O/c1-7-29(8-2)23-26-22(25-11-14-32(19(3)4)20(5)6)27-24(28-23)31-12-9-21(10-13-31)30-15-17-33-18-16-30/h19-21H,7-18H2,1-6H3,(H,25,26,27,28)
InChIKeyJQMWQLJRYKOLLW-UHFFFAOYSA-N
XLogP2.55
TPSA72.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.69
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine (CID 117087192) is 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NCCN(C(C)C)C(C)C)nc(N2CCC(N3CCOCC3)CC2)n1.
What is the InChIKey of 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JQMWQLJRYKOLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N8O/c1-7-29(8-2)23-26-22(25-11-14-32(19(3)4)20(5)6)27-24(28-23)31-12-9-21(10-13-31)30-15-17-33-18-16-30/h19-21H,7-18H2,1-6H3,(H,25,26,27,28).
What are the key properties of 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine?
2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 462.69 g/mol, XLogP of 2.55, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 117087192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).