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

C16H19BrN4 — CID 63868359

IUPAC4-[(2-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine
SMILESNc1nc(Cc2ccccc2Br)nc(C2CCCCC2)n1
InChIInChI=1S/C16H19BrN4/c17-13-9-5-4-8-12(13)10-14-19-15(21-16(18)20-14)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H2,18,19,20,21)
InChIKeySMQCDCTXSMKDTH-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.85
Rot. Bonds3

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

4-[(2-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine (PubChem CID 63868359) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(2-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine
PubChem CID63868359
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC Name4-[(2-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine
SMILESNc1nc(Cc2ccccc2Br)nc(C2CCCCC2)n1
InChIInChI=1S/C16H19BrN4/c17-13-9-5-4-8-12(13)10-14-19-15(21-16(18)20-14)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H2,18,19,20,21)
InChIKeySMQCDCTXSMKDTH-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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(2-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine (CID 63868359) is 4-[(2-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(2-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(2-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine is Nc1nc(Cc2ccccc2Br)nc(C2CCCCC2)n1.
What is the InChIKey of 4-[(2-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine?
The InChIKey is SMQCDCTXSMKDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c17-13-9-5-4-8-12(13)10-14-19-15(21-16(18)20-14)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H2,18,19,20,21).
What are the key properties of 4-[(2-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine?
4-[(2-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-[(2-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).