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

C12H12BrClN4O — CID 62858842

IUPACN-[(4-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(N(C)Cc2ccc(Br)cc2)n1
InChIInChI=1S/C12H12BrClN4O/c1-18(7-8-3-5-9(13)6-4-8)11-15-10(14)16-12(17-11)19-2/h3-6H,7H2,1-2H3
InChIKeyLXMHAXQXQHREFV-UHFFFAOYSA-N
MW343.61 g/mol
LogP2.93
Rot. Bonds4

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

N-[(4-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 62858842) has the molecular formula C12H12BrClN4O and a molecular weight of 343.61 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID62858842
Molecular FormulaC12H12BrClN4O
Molecular Weight343.61 g/mol
Exact Mass341.99
IUPAC NameN-[(4-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(N(C)Cc2ccc(Br)cc2)n1
InChIInChI=1S/C12H12BrClN4O/c1-18(7-8-3-5-9(13)6-4-8)11-15-10(14)16-12(17-11)19-2/h3-6H,7H2,1-2H3
InChIKeyLXMHAXQXQHREFV-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine (CID 62858842) is N-[(4-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine is COc1nc(Cl)nc(N(C)Cc2ccc(Br)cc2)n1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is LXMHAXQXQHREFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4O/c1-18(7-8-3-5-9(13)6-4-8)11-15-10(14)16-12(17-11)19-2/h3-6H,7H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
N-[(4-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-[(4-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62858842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).