N-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

C20H26Cl2N6 — CID 58865535

IUPACN-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESClc1ccc(CNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(Cl)c1
InChIInChI=1S/C20H26Cl2N6/c21-16-8-7-15(17(22)13-16)14-23-18-24-19(27-9-3-1-4-10-27)26-20(25-18)28-11-5-2-6-12-28/h7-8,13H,1-6,9-12,14H2,(H,23,24,25,26)
InChIKeyODMFREZIJMCNKW-UHFFFAOYSA-N
MW421.38 g/mol
LogP4.77
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

N-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 58865535) has the molecular formula C20H26Cl2N6 and a molecular weight of 421.38 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
PubChem CID58865535
Molecular FormulaC20H26Cl2N6
Molecular Weight421.38 g/mol
Exact Mass420.16
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESClc1ccc(CNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(Cl)c1
InChIInChI=1S/C20H26Cl2N6/c21-16-8-7-15(17(22)13-16)14-23-18-24-19(27-9-3-1-4-10-27)26-20(25-18)28-11-5-2-6-12-28/h7-8,13H,1-6,9-12,14H2,(H,23,24,25,26)
InChIKeyODMFREZIJMCNKW-UHFFFAOYSA-N
XLogP4.77
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

4,6-bis(azocan-1-yl)-N-[(2-fluorophenyl)methyl]-1,3,5-triazin-2-amine
CID 134091443
2-(azepan-1-yl)-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidin-4-amine
CID 112901497
N-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910046
N,N'-bis[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]ethane-1,2-diamine
CID 15333325
N-[(2-phenylphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 58865899
azane;N-[(2,4-dimethoxyphenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine;molecular hydrogen;hydrochloride
CID 159172305
N-[(2,4-dichlorophenyl)methyl]-2-[4-[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]acetamide
CID 25262379
2-(azepan-1-yl)-N-(2,4-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 112926760
N-[1-(4-chlorophenyl)ethylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 3092763
N-[2-(2,4-dichlorophenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856076
4-(4-chloropyrazol-1-yl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80857845
2-N-[(5-chlorothiophen-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80834981

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (CID 58865535) is N-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is Clc1ccc(CNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is ODMFREZIJMCNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N6/c21-16-8-7-15(17(22)13-16)14-23-18-24-19(27-9-3-1-4-10-27)26-20(25-18)28-11-5-2-6-12-28/h7-8,13H,1-6,9-12,14H2,(H,23,24,25,26).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
N-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 421.38 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 58865535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).