4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine

C13H15BrN4 — CID 63867311

IUPAC4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C13H15BrN4/c1-13(2,3)11-16-10(17-12(15)18-11)8-4-6-9(14)7-5-8/h4-7H,1-3H3,(H2,15,16,17,18)
InChIKeySYTATRUMEKUPFP-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.18
Rot. Bonds1

About 4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine

4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine (PubChem CID 63867311) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine
PubChem CID63867311
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C13H15BrN4/c1-13(2,3)11-16-10(17-12(15)18-11)8-4-6-9(14)7-5-8/h4-7H,1-3H3,(H2,15,16,17,18)
InChIKeySYTATRUMEKUPFP-UHFFFAOYSA-N
XLogP3.18
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzoguanamine
CID 7064
6-(3-Methylphenyl)-1,3,5-triazine-2,4-diamine
CID 273487
2,4-Diamino-6-(4-fluorophenyl)-1,3,5-triazine
CID 11390103
6-(3-Fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 12852432
2,4-Diamino-6-(4-methylphenyl)-1,3,5-triazine
CID 29542
2-(4-Bromophenyl)-4,6-diphenyl-1,3,5-triazine
CID 1728672
2,4,6-Tris(4-bromophenyl)-1,3,5-triazine
CID 35224
2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine
CID 58943302
2,4-Diamino-6-(4-bromophenyl)-1,3,5-triazine
CID 746710
2-(4-Bromobenzylamino)-4-methyl-6-(trifluoromethyl)-1,3,5-triazine
CID 15857809
4-(4-Bromophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645145
6-(3-Bromophenyl)-1,3,5-triazine-2,4-diamine
CID 273483

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine (CID 63867311) is 4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine is CC(C)(C)c1nc(N)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine?
The InChIKey is SYTATRUMEKUPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-13(2,3)11-16-10(17-12(15)18-11)8-4-6-9(14)7-5-8/h4-7H,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine?
4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine has a molecular weight of 307.19 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).