6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

C20H32N8O — CID 57398912

IUPAC6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Nc2ccccc2OC)nc(N2CCN(CCN(C)C)CC2)n1
InChIInChI=1S/C20H32N8O/c1-5-21-18-23-19(22-16-8-6-7-9-17(16)29-4)25-20(24-18)28-14-12-27(13-15-28)11-10-26(2)3/h6-9H,5,10-15H2,1-4H3,(H2,21,22,23,24,25)
InChIKeyCXZBIGWGZHUEOJ-UHFFFAOYSA-N
MW400.53 g/mol
LogP1.74
Rot. Bonds9

About 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine

6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 57398912) has the molecular formula C20H32N8O and a molecular weight of 400.53 g/mol. Its IUPAC name is 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID57398912
Molecular FormulaC20H32N8O
Molecular Weight400.53 g/mol
Exact Mass400.27
IUPAC Name6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Nc2ccccc2OC)nc(N2CCN(CCN(C)C)CC2)n1
InChIInChI=1S/C20H32N8O/c1-5-21-18-23-19(22-16-8-6-7-9-17(16)29-4)25-20(24-18)28-14-12-27(13-15-28)11-10-26(2)3/h6-9H,5,10-15H2,1-4H3,(H2,21,22,23,24,25)
InChIKeyCXZBIGWGZHUEOJ-UHFFFAOYSA-N
XLogP1.74
TPSA81.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 57398912) is 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is CCNc1nc(Nc2ccccc2OC)nc(N2CCN(CCN(C)C)CC2)n1.
What is the InChIKey of 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CXZBIGWGZHUEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N8O/c1-5-21-18-23-19(22-16-8-6-7-9-17(16)29-4)25-20(24-18)28-14-12-27(13-15-28)11-10-26(2)3/h6-9H,5,10-15H2,1-4H3,(H2,21,22,23,24,25).
What are the key properties of 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 400.53 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-N-ethyl-2-N-(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 57398912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).