4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine

C11H9Cl3N4 — CID 62868382

IUPAC4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine
SMILESCN(Cc1ccc(Cl)cc1)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H9Cl3N4/c1-18(6-7-2-4-8(12)5-3-7)11-16-9(13)15-10(14)17-11/h2-5H,6H2,1H3
InChIKeyAKXCTHOPAACSMJ-UHFFFAOYSA-N
MW303.58 g/mol
LogP3.47
Rot. Bonds3

About 4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine

4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine (PubChem CID 62868382) has the molecular formula C11H9Cl3N4 and a molecular weight of 303.58 g/mol. Its IUPAC name is 4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine
PubChem CID62868382
Molecular FormulaC11H9Cl3N4
Molecular Weight303.58 g/mol
Exact Mass301.99
IUPAC Name4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine
SMILESCN(Cc1ccc(Cl)cc1)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H9Cl3N4/c1-18(6-7-2-4-8(12)5-3-7)11-16-9(13)15-10(14)17-11/h2-5H,6H2,1H3
InChIKeyAKXCTHOPAACSMJ-UHFFFAOYSA-N
XLogP3.47
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80793890
2-N-[(4-bromophenyl)methyl]-6-chloro-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80794390
N-[(4-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62858842
6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 62864913
4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62868348
6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80781146
N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869660
6-chloro-2-N,4-N,4-N-trimethyl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 55125410
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 113221848
4-chloro-6-[(4-chlorophenyl)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine
CID 65125002
N-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine
CID 50948120

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine (CID 62868382) is 4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine is CN(Cc1ccc(Cl)cc1)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is AKXCTHOPAACSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N4/c1-18(6-7-2-4-8(12)5-3-7)11-16-9(13)15-10(14)17-11/h2-5H,6H2,1H3.
What are the key properties of 4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine?
4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 303.58 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).