N-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine

C13H14BrClN4O — CID 63548188

IUPACN-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1cc(Br)ccc1Nc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C13H14BrClN4O/c1-7(2)20-13-18-11(15)17-12(19-13)16-10-5-4-9(14)6-8(10)3/h4-7H,1-3H3,(H,16,17,18,19)
InChIKeyGDTISZOJEZJMOE-UHFFFAOYSA-N
MW357.64 g/mol
LogP4.13
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine

N-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 63548188) has the molecular formula C13H14BrClN4O and a molecular weight of 357.64 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID63548188
Molecular FormulaC13H14BrClN4O
Molecular Weight357.64 g/mol
Exact Mass356.00
IUPAC NameN-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1cc(Br)ccc1Nc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C13H14BrClN4O/c1-7(2)20-13-18-11(15)17-12(19-13)16-10-5-4-9(14)6-8(10)3/h4-7H,1-3H3,(H,16,17,18,19)
InChIKeyGDTISZOJEZJMOE-UHFFFAOYSA-N
XLogP4.13
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63547837
N-(3-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63547878
N-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62859182
4-chloro-N-(4-chloro-2-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114256288
N-(4-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 55124358
2-N-(2,4-dibromophenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80800480
N-(3-bromo-5-methoxyphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 82860928
4-chloro-N-(4-methoxy-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62864106
4-chloro-N-(2-iodophenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63550284
4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 82802523
2-N-(2,5-dibromophenyl)-4-N-methyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80781264
4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62870184

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 63548188) is N-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine is Cc1cc(Br)ccc1Nc1nc(Cl)nc(OC(C)C)n1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is GDTISZOJEZJMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN4O/c1-7(2)20-13-18-11(15)17-12(19-13)16-10-5-4-9(14)6-8(10)3/h4-7H,1-3H3,(H,16,17,18,19).
What are the key properties of N-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine?
N-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 357.64 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 63548188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).