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

C13H15BrN4O — CID 106951384

IUPAC4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(-c2ccc(OC)c(Br)c2)n1
InChIInChI=1S/C13H15BrN4O/c1-3-4-11-16-12(18-13(15)17-11)8-5-6-10(19-2)9(14)7-8/h5-7H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyNOHKATWQRGADPE-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.84
Rot. Bonds4

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

4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine (PubChem CID 106951384) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
PubChem CID106951384
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(-c2ccc(OC)c(Br)c2)n1
InChIInChI=1S/C13H15BrN4O/c1-3-4-11-16-12(18-13(15)17-11)8-5-6-10(19-2)9(14)7-8/h5-7H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyNOHKATWQRGADPE-UHFFFAOYSA-N
XLogP2.84
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 55250868
4-(2-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 63867600
4-(4-bromo-3,5-dimethylphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 114331235
2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66297498
2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62201562
4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine
CID 115568668
5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66295747
4-propyl-6-thiophen-3-yl-1,3,5-triazin-2-amine
CID 63867602
[2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 63561231
[2-(3-bromo-4-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 106951176
5-(3-bromo-4-methoxyphenyl)-3-cyclopropyl-2-propylimidazol-4-amine
CID 62219065
2-(3-bromo-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63611790

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine (CID 106951384) is 4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine is CCCc1nc(N)nc(-c2ccc(OC)c(Br)c2)n1.
What is the InChIKey of 4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine?
The InChIKey is NOHKATWQRGADPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-3-4-11-16-12(18-13(15)17-11)8-5-6-10(19-2)9(14)7-8/h5-7H,3-4H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine?
4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine has a molecular weight of 323.19 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 106951384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).