4-cyclohexyl-6-(3-methylphenyl)-1,3,5-triazin-2-amine

C16H20N4 — CID 63867917

IUPAC4-cyclohexyl-6-(3-methylphenyl)-1,3,5-triazin-2-amine
SMILESCc1cccc(-c2nc(N)nc(C3CCCCC3)n2)c1
InChIInChI=1S/C16H20N4/c1-11-6-5-9-13(10-11)15-18-14(19-16(17)20-15)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H2,17,18,19,20)
InChIKeyPZLNMIUOSMMNKK-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.48
Rot. Bonds2

About 4-cyclohexyl-6-(3-methylphenyl)-1,3,5-triazin-2-amine

4-cyclohexyl-6-(3-methylphenyl)-1,3,5-triazin-2-amine (PubChem CID 63867917) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-cyclohexyl-6-(3-methylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-6-(3-methylphenyl)-1,3,5-triazin-2-amine
PubChem CID63867917
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4-cyclohexyl-6-(3-methylphenyl)-1,3,5-triazin-2-amine
SMILESCc1cccc(-c2nc(N)nc(C3CCCCC3)n2)c1
InChIInChI=1S/C16H20N4/c1-11-6-5-9-13(10-11)15-18-14(19-16(17)20-15)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H2,17,18,19,20)
InChIKeyPZLNMIUOSMMNKK-UHFFFAOYSA-N
XLogP3.48
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-(3-methylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclohexyl-6-(3-methylphenyl)-1,3,5-triazin-2-amine (CID 63867917) is 4-cyclohexyl-6-(3-methylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclohexyl-6-(3-methylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclohexyl-6-(3-methylphenyl)-1,3,5-triazin-2-amine is Cc1cccc(-c2nc(N)nc(C3CCCCC3)n2)c1.
What is the InChIKey of 4-cyclohexyl-6-(3-methylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is PZLNMIUOSMMNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11-6-5-9-13(10-11)15-18-14(19-16(17)20-15)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-cyclohexyl-6-(3-methylphenyl)-1,3,5-triazin-2-amine?
4-cyclohexyl-6-(3-methylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 268.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-(3-methylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).