4-(4-bromo-3,5-dimethylphenyl)-6-propyl-1,3,5-triazin-2-amine

C14H17BrN4 — CID 114331235

IUPAC4-(4-bromo-3,5-dimethylphenyl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(-c2cc(C)c(Br)c(C)c2)n1
InChIInChI=1S/C14H17BrN4/c1-4-5-11-17-13(19-14(16)18-11)10-6-8(2)12(15)9(3)7-10/h6-7H,4-5H2,1-3H3,(H2,16,17,18,19)
InChIKeyLHDYEDFLGLPQEH-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.45
Rot. Bonds3

About 4-(4-bromo-3,5-dimethylphenyl)-6-propyl-1,3,5-triazin-2-amine

4-(4-bromo-3,5-dimethylphenyl)-6-propyl-1,3,5-triazin-2-amine (PubChem CID 114331235) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylphenyl)-6-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylphenyl)-6-propyl-1,3,5-triazin-2-amine
PubChem CID114331235
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name4-(4-bromo-3,5-dimethylphenyl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(-c2cc(C)c(Br)c(C)c2)n1
InChIInChI=1S/C14H17BrN4/c1-4-5-11-17-13(19-14(16)18-11)10-6-8(2)12(15)9(3)7-10/h6-7H,4-5H2,1-3H3,(H2,16,17,18,19)
InChIKeyLHDYEDFLGLPQEH-UHFFFAOYSA-N
XLogP3.45
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 106951384
4-(4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 55250868
2-(4-bromo-3,5-dimethylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 114330950
4-propyl-6-thiophen-3-yl-1,3,5-triazin-2-amine
CID 63867602
4-(4-methyl-3-pyridinyl)-6-propyl-1,3,5-triazin-2-amine
CID 114879021
2-(4-bromo-3,5-dimethylphenyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 114330977
4-propyl-6-trihydroxysilyl-1,3,5-triazin-2-amine
CID 175734878
2-propylpyrimidine-4,6-diamine
CID 67304918
4-(2-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 63867600
4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine
CID 115568668
2-(4-bromo-3,5-dimethylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114330940
3-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 114329402

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylphenyl)-6-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-bromo-3,5-dimethylphenyl)-6-propyl-1,3,5-triazin-2-amine (CID 114331235) is 4-(4-bromo-3,5-dimethylphenyl)-6-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylphenyl)-6-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-bromo-3,5-dimethylphenyl)-6-propyl-1,3,5-triazin-2-amine is CCCc1nc(N)nc(-c2cc(C)c(Br)c(C)c2)n1.
What is the InChIKey of 4-(4-bromo-3,5-dimethylphenyl)-6-propyl-1,3,5-triazin-2-amine?
The InChIKey is LHDYEDFLGLPQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-4-5-11-17-13(19-14(16)18-11)10-6-8(2)12(15)9(3)7-10/h6-7H,4-5H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-(4-bromo-3,5-dimethylphenyl)-6-propyl-1,3,5-triazin-2-amine?
4-(4-bromo-3,5-dimethylphenyl)-6-propyl-1,3,5-triazin-2-amine has a molecular weight of 321.22 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylphenyl)-6-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 114331235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).