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

C24H41N9 — CID 117089791

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NCCN(C(C)C)C(C)C)nc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C24H41N9/c1-7-30(8-2)23-27-22(26-13-14-33(19(3)4)20(5)6)28-24(29-23)32-17-15-31(16-18-32)21-11-9-10-12-25-21/h9-12,19-20H,7-8,13-18H2,1-6H3,(H,26,27,28,29)
InChIKeyPGADGBNECRUEOK-UHFFFAOYSA-N
MW455.66 g/mol
LogP2.97
Rot. Bonds11

About 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-pyridin-2-ylpiperazin-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-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 117089791) has the molecular formula C24H41N9 and a molecular weight of 455.66 g/mol. Its IUPAC name is 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-pyridin-2-ylpiperazin-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-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID117089791
Molecular FormulaC24H41N9
Molecular Weight455.66 g/mol
Exact Mass455.35
IUPAC Name2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NCCN(C(C)C)C(C)C)nc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C24H41N9/c1-7-30(8-2)23-27-22(26-13-14-33(19(3)4)20(5)6)28-24(29-23)32-17-15-31(16-18-32)21-11-9-10-12-25-21/h9-12,19-20H,7-8,13-18H2,1-6H3,(H,26,27,28,29)
InChIKeyPGADGBNECRUEOK-UHFFFAOYSA-N
XLogP2.97
TPSA76.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.66
LogP ≤ 52.97
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-pyridin-2-ylpiperazin-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-pyridin-2-ylpiperazin-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-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine (CID 117089791) is 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-pyridin-2-ylpiperazin-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-pyridin-2-ylpiperazin-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-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NCCN(C(C)C)C(C)C)nc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is PGADGBNECRUEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N9/c1-7-30(8-2)23-27-22(26-13-14-33(19(3)4)20(5)6)28-24(29-23)32-17-15-31(16-18-32)21-11-9-10-12-25-21/h9-12,19-20H,7-8,13-18H2,1-6H3,(H,26,27,28,29).
What are the key properties of 2-N-[2-[di(propan-2-yl)amino]ethyl]-4-N,4-N-diethyl-6-(4-pyridin-2-ylpiperazin-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-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 455.66 g/mol, XLogP of 2.97, 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-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 117089791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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