4-[(4-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine

C16H19BrN4 — CID 63868061

IUPAC4-[(4-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine
SMILESNc1nc(Cc2ccc(Br)cc2)nc(C2CCCCC2)n1
InChIInChI=1S/C16H19BrN4/c17-13-8-6-11(7-9-13)10-14-19-15(21-16(18)20-14)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H2,18,19,20,21)
InChIKeyJCFWNNYLXXVHLS-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.85
Rot. Bonds3

About 4-[(4-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine

4-[(4-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine (PubChem CID 63868061) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine
PubChem CID63868061
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC Name4-[(4-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine
SMILESNc1nc(Cc2ccc(Br)cc2)nc(C2CCCCC2)n1
InChIInChI=1S/C16H19BrN4/c17-13-8-6-11(7-9-13)10-14-19-15(21-16(18)20-14)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H2,18,19,20,21)
InChIKeyJCFWNNYLXXVHLS-UHFFFAOYSA-N
XLogP3.85
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine
CID 63868359
4-cyclopentyl-6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazin-2-amine
CID 63868750
4-cyclopentyl-6-[(3,5-dimethylphenyl)methyl]-1,3,5-triazin-2-amine
CID 63867001
4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 63868638
4-cycloheptyl-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine
CID 63867175
4-cyclopropyl-6-[(3,4-dimethylphenyl)methyl]-1,3,5-triazin-2-amine
CID 63867150
4-cycloheptyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 63868369
4-cyclohexyl-6-cyclopentyl-1,3,5-triazin-2-amine
CID 63868885
4-cyclopentyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 63867162
4-cycloheptyl-6-(methoxymethyl)-1,3,5-triazin-2-amine
CID 63868763
5-bromo-2-[(4-bromophenyl)methyl]-6-cyclopropylpyrimidin-4-amine
CID 66303346
4-cycloheptyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 63868503

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(4-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine (CID 63868061) is 4-[(4-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(4-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(4-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine is Nc1nc(Cc2ccc(Br)cc2)nc(C2CCCCC2)n1.
What is the InChIKey of 4-[(4-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine?
The InChIKey is JCFWNNYLXXVHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c17-13-8-6-11(7-9-13)10-14-19-15(21-16(18)20-14)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H2,18,19,20,21).
What are the key properties of 4-[(4-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine?
4-[(4-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine has a molecular weight of 347.26 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).