6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine

C12H12Cl3N5 — CID 80785018

IUPAC6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H12Cl3N5/c1-16-11-18-10(15)19-12(20-11)17-5-4-7-2-3-8(13)6-9(7)14/h2-3,6H,4-5H2,1H3,(H2,16,17,18,19,20)
InChIKeyJRRNPFYYLIGPLC-UHFFFAOYSA-N
MW332.62 g/mol
LogP3.53
Rot. Bonds5

About 6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80785018) has the molecular formula C12H12Cl3N5 and a molecular weight of 332.62 g/mol. Its IUPAC name is 6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80785018
Molecular FormulaC12H12Cl3N5
Molecular Weight332.62 g/mol
Exact Mass331.02
IUPAC Name6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(Cl)nc(NCCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C12H12Cl3N5/c1-16-11-18-10(15)19-12(20-11)17-5-4-7-2-3-8(13)6-9(7)14/h2-3,6H,4-5H2,1H3,(H2,16,17,18,19,20)
InChIKeyJRRNPFYYLIGPLC-UHFFFAOYSA-N
XLogP3.53
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.62
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 80785532
5-bromo-4-N-[2-(2,4-dichlorophenyl)ethyl]-2-N-methylpyrimidine-2,4-diamine
CID 80786471
2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112908546
2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-propylpyrimidine-2,4-diamine
CID 112881814
4-N-benzyl-2-N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112915519
N-[2-(2,4-dichlorophenyl)ethyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910046
N-[2-(2,4-dichlorophenyl)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115974417
6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804623
N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62786205
N-tert-butyl-5-(2,4-dichlorophenyl)pentan-1-amine
CID 65305971
3-N-tert-butyl-5-N-[2-(2,4-dichlorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112959021
2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-7H-purin-6-amine
CID 104697470

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 80785018) is 6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(Cl)nc(NCCc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JRRNPFYYLIGPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl3N5/c1-16-11-18-10(15)19-12(20-11)17-5-4-7-2-3-8(13)6-9(7)14/h2-3,6H,4-5H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 332.62 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[2-(2,4-dichlorophenyl)ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80785018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).