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

C12H12BrClN4O — CID 82823647

IUPAC4-[(4-bromophenyl)methoxy]-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(OCc2ccc(Br)cc2)n1
InChIInChI=1S/C12H12BrClN4O/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
InChIKeyBKCHMLBVPJEFEB-UHFFFAOYSA-N
MW343.61 g/mol
LogP2.93
Rot. Bonds4

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

4-[(4-bromophenyl)methoxy]-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 82823647) has the molecular formula C12H12BrClN4O and a molecular weight of 343.61 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methoxy]-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(4-bromophenyl)methoxy]-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID82823647
Molecular FormulaC12H12BrClN4O
Molecular Weight343.61 g/mol
Exact Mass341.99
IUPAC Name4-[(4-bromophenyl)methoxy]-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(OCc2ccc(Br)cc2)n1
InChIInChI=1S/C12H12BrClN4O/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
InChIKeyBKCHMLBVPJEFEB-UHFFFAOYSA-N
XLogP2.93
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-[(4-chlorophenyl)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine
CID 65125002
N-[(4-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62858842
4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62870135
2-chloro-4-[(4-chlorophenyl)methoxy]-6-methyl-1,3,5-triazine
CID 145028932
4-(4-butylphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 115492551
5-[(4-bromophenyl)methoxy]-N,N-dimethylpyridin-2-amine
CID 135394143
4-chloro-6-[2-(diethylamino)ethoxy]-N,N-dimethyl-1,3,5-triazin-2-amine
CID 55124099
4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 104707062
4-chloro-N,N-dimethyl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazin-2-amine
CID 62869815
4-[(4-bromophenyl)methoxy]-6-chloro-5-methoxypyrimidine
CID 82823540
2-N-[(4-bromophenyl)methyl]-6-chloro-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80794390
2,4-dichloro-6-[(4-nitrophenyl)methoxy]-1,3,5-triazine
CID 138975635

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methoxy]-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(4-bromophenyl)methoxy]-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine (CID 82823647) is 4-[(4-bromophenyl)methoxy]-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(4-bromophenyl)methoxy]-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(4-bromophenyl)methoxy]-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(OCc2ccc(Br)cc2)n1.
What is the InChIKey of 4-[(4-bromophenyl)methoxy]-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is BKCHMLBVPJEFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4O/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-[(4-bromophenyl)methoxy]-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine?
4-[(4-bromophenyl)methoxy]-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 343.61 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methoxy]-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 82823647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).