4-chloro-6-[(4-chlorophenyl)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine

C12H12Cl2N4O — CID 65125002

IUPAC4-chloro-6-[(4-chlorophenyl)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12Cl2N4O/c1-18(2)11-15-10(14)16-12(17-11)19-7-8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3
InChIKeyZYRWTBBOKZIVMT-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.82
Rot. Bonds4

About 4-chloro-6-[(4-chlorophenyl)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine

4-chloro-6-[(4-chlorophenyl)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 65125002) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 4-chloro-6-[(4-chlorophenyl)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(4-chlorophenyl)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID65125002
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name4-chloro-6-[(4-chlorophenyl)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12Cl2N4O/c1-18(2)11-15-10(14)16-12(17-11)19-7-8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3
InChIKeyZYRWTBBOKZIVMT-UHFFFAOYSA-N
XLogP2.82
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-bromophenyl)methoxy]-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 82823647
2-chloro-4-[(4-chlorophenyl)methoxy]-6-methyl-1,3,5-triazine
CID 145028932
4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62870135
4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 115492551
4-chloro-6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3,5-triazin-2-amine
CID 55124099
4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine
CID 62868382
4-chloro-6-(3-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 63877958
4-chloro-N,N-dimethyl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-amine
CID 62869815
2,4-dichloro-6-[(4-nitrophenyl)methoxy]-1,3,5-triazine
CID 138975635
4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62868348
4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 62869628
4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine
CID 62870466

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(4-chlorophenyl)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[(4-chlorophenyl)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine (CID 65125002) is 4-chloro-6-[(4-chlorophenyl)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[(4-chlorophenyl)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[(4-chlorophenyl)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(OCc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-6-[(4-chlorophenyl)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is ZYRWTBBOKZIVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-18(2)11-15-10(14)16-12(17-11)19-7-8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of 4-chloro-6-[(4-chlorophenyl)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-[(4-chlorophenyl)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 299.16 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(4-chlorophenyl)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 65125002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).