4-(2-bromophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine

C12H13BrN4 — CID 63867300

IUPAC4-(2-bromophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(-c2ccccc2Br)n1
InChIInChI=1S/C12H13BrN4/c1-7(2)10-15-11(17-12(14)16-10)8-5-3-4-6-9(8)13/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyLTCIADCHFOFEDN-UHFFFAOYSA-N
MW293.17 g/mol
LogP3.01
Rot. Bonds2

About 4-(2-bromophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine

4-(2-bromophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 63867300) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 4-(2-bromophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID63867300
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name4-(2-bromophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(-c2ccccc2Br)n1
InChIInChI=1S/C12H13BrN4/c1-7(2)10-15-11(17-12(14)16-10)8-5-3-4-6-9(8)13/h3-7H,1-2H3,(H2,14,15,16,17)
InChIKeyLTCIADCHFOFEDN-UHFFFAOYSA-N
XLogP3.01
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-bromophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine (CID 63867300) is 4-(2-bromophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-bromophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-bromophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(N)nc(-c2ccccc2Br)n1.
What is the InChIKey of 4-(2-bromophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is LTCIADCHFOFEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-7(2)10-15-11(17-12(14)16-10)8-5-3-4-6-9(8)13/h3-7H,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-(2-bromophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
4-(2-bromophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 293.17 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).