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

C13H14Cl3N5 — CID 62869021

IUPAC6-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(Cl)nc(N(C)C)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl3N5/c1-7(9-5-4-8(14)6-10(9)15)17-12-18-11(16)19-13(20-12)21(2)3/h4-7H,1-3H3,(H,17,18,19,20)
InChIKeyMQDIKVZULGKNLJ-UHFFFAOYSA-N
MW346.65 g/mol
LogP4.07
Rot. Bonds4

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

6-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 62869021) has the molecular formula C13H14Cl3N5 and a molecular weight of 346.65 g/mol. Its IUPAC name is 6-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID62869021
Molecular FormulaC13H14Cl3N5
Molecular Weight346.65 g/mol
Exact Mass345.03
IUPAC Name6-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(Cl)nc(N(C)C)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl3N5/c1-7(9-5-4-8(14)6-10(9)15)17-12-18-11(16)19-13(20-12)21(2)3/h4-7H,1-3H3,(H,17,18,19,20)
InChIKeyMQDIKVZULGKNLJ-UHFFFAOYSA-N
XLogP4.07
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.65
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]pyrimidin-2-amine
CID 43080819
6-chloro-4-N-(2,5-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 55124757
4-N-[1-(2-chlorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80783650
6-chloro-2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 62863344
N-[1-(2,4-dichlorophenyl)ethyl]-5-iodopyrimidin-2-amine
CID 116648364
3,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,2,4-triazin-5-amine
CID 81037751
4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80802339
6-chloro-2-N,2-N-dimethyl-4-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106214411
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
4-N-but-3-en-2-yl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106195710
6-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62481913
1-N-[1-(2,4-dichlorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115375945

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 62869021) is 6-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CC(Nc1nc(Cl)nc(N(C)C)n1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 6-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MQDIKVZULGKNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl3N5/c1-7(9-5-4-8(14)6-10(9)15)17-12-18-11(16)19-13(20-12)21(2)3/h4-7H,1-3H3,(H,17,18,19,20).
What are the key properties of 6-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 346.65 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[1-(2,4-dichlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 62869021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).