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

C12H12BrClN4O — CID 62858843

IUPACN-[(3-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(N(C)Cc2cccc(Br)c2)n1
InChIInChI=1S/C12H12BrClN4O/c1-18(7-8-4-3-5-9(13)6-8)11-15-10(14)16-12(17-11)19-2/h3-6H,7H2,1-2H3
InChIKeyXUEADOYINXCARH-UHFFFAOYSA-N
MW343.61 g/mol
LogP2.93
Rot. Bonds4

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

N-[(3-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 62858843) has the molecular formula C12H12BrClN4O and a molecular weight of 343.61 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID62858843
Molecular FormulaC12H12BrClN4O
Molecular Weight343.61 g/mol
Exact Mass341.99
IUPAC NameN-[(3-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(N(C)Cc2cccc(Br)c2)n1
InChIInChI=1S/C12H12BrClN4O/c1-18(7-8-4-3-5-9(13)6-8)11-15-10(14)16-12(17-11)19-2/h3-6H,7H2,1-2H3
InChIKeyXUEADOYINXCARH-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

N-[(4-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62858842
6-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80794627
N-[(3-bromophenyl)methyl]-2-methoxy-N-methylaniline
CID 60965802
4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine
CID 62858681
2-N-[(4-bromophenyl)methyl]-6-chloro-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80794390
5-(aminomethyl)-N-[(3-bromophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83185731
4-chloro-N-(3-fluorophenyl)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62859359
N-[(3-bromophenyl)methyl]-4-chloro-N-methylphthalazin-1-amine
CID 62141752
4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine
CID 62868382
2-[(3-bromophenyl)methyl-methylamino]-4-chloro-1,3-thiazole-5-carbaldehyde
CID 80688068
N-[(3-bromophenyl)methyl]-6-chloro-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80979906
4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62868348

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine (CID 62858843) is N-[(3-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine is COc1nc(Cl)nc(N(C)Cc2cccc(Br)c2)n1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is XUEADOYINXCARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4O/c1-18(7-8-4-3-5-9(13)6-8)11-15-10(14)16-12(17-11)19-2/h3-6H,7H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
N-[(3-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-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 N-[(3-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62858843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).