2-N-(3-bromo-4-methoxyphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine

C13H15BrClN5O — CID 80829938

IUPAC2-N-(3-bromo-4-methoxyphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(Nc2ccc(OC)c(Br)c2)n1
InChIInChI=1S/C13H15BrClN5O/c1-3-6-16-12-18-11(15)19-13(20-12)17-8-4-5-10(21-2)9(14)7-8/h4-5,7H,3,6H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyBOLBHLLNNNOHDO-UHFFFAOYSA-N
MW372.65 g/mol
LogP3.86
Rot. Bonds6

About 2-N-(3-bromo-4-methoxyphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N-(3-bromo-4-methoxyphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80829938) has the molecular formula C13H15BrClN5O and a molecular weight of 372.65 g/mol. Its IUPAC name is 2-N-(3-bromo-4-methoxyphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-4-methoxyphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80829938
Molecular FormulaC13H15BrClN5O
Molecular Weight372.65 g/mol
Exact Mass371.01
IUPAC Name2-N-(3-bromo-4-methoxyphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(Nc2ccc(OC)c(Br)c2)n1
InChIInChI=1S/C13H15BrClN5O/c1-3-6-16-12-18-11(15)19-13(20-12)17-8-4-5-10(21-2)9(14)7-8/h4-5,7H,3,6H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyBOLBHLLNNNOHDO-UHFFFAOYSA-N
XLogP3.86
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(3-bromo-4-methoxyphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107617918
6-chloro-2-N-(4-methoxyphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80760173
4-N-(3-bromo-4-methoxyphenyl)-5-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80830476
2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 81272305
2-N-(4-bromo-2-ethylphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 81286955
2-N-(3-fluoro-4-methylphenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80750770
5-bromo-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773425
6-chloro-2-N-(3-methoxypropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80772028
N-(3-bromo-4-iodophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 114262303
4-N-(3-chloro-4-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932590
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
5-chloro-4-N-(3-fluoro-4-methoxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773272

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-4-methoxyphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-bromo-4-methoxyphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80829938) is 2-N-(3-bromo-4-methoxyphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-bromo-4-methoxyphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-bromo-4-methoxyphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(Nc2ccc(OC)c(Br)c2)n1.
What is the InChIKey of 2-N-(3-bromo-4-methoxyphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BOLBHLLNNNOHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN5O/c1-3-6-16-12-18-11(15)19-13(20-12)17-8-4-5-10(21-2)9(14)7-8/h4-5,7H,3,6H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-(3-bromo-4-methoxyphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-(3-bromo-4-methoxyphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 372.65 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromo-4-methoxyphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80829938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).