4-chloro-6-(2-phenylethyl)-1,3,5-triazin-2-amine

C11H11ClN4 — CID 83241885

IUPAC4-chloro-6-(2-phenylethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(CCc2ccccc2)n1
InChIInChI=1S/C11H11ClN4/c12-10-14-9(15-11(13)16-10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,14,15,16)
InChIKeySIBGRTIGRBHYMR-UHFFFAOYSA-N
MW234.69 g/mol
LogP1.89
Rot. Bonds3

About 4-chloro-6-(2-phenylethyl)-1,3,5-triazin-2-amine

4-chloro-6-(2-phenylethyl)-1,3,5-triazin-2-amine (PubChem CID 83241885) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-chloro-6-(2-phenylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-phenylethyl)-1,3,5-triazin-2-amine
PubChem CID83241885
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name4-chloro-6-(2-phenylethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(CCc2ccccc2)n1
InChIInChI=1S/C11H11ClN4/c12-10-14-9(15-11(13)16-10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,14,15,16)
InChIKeySIBGRTIGRBHYMR-UHFFFAOYSA-N
XLogP1.89
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-phenylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2-phenylethyl)-1,3,5-triazin-2-amine (CID 83241885) is 4-chloro-6-(2-phenylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-phenylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2-phenylethyl)-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(CCc2ccccc2)n1.
What is the InChIKey of 4-chloro-6-(2-phenylethyl)-1,3,5-triazin-2-amine?
The InChIKey is SIBGRTIGRBHYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c12-10-14-9(15-11(13)16-10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,14,15,16).
What are the key properties of 4-chloro-6-(2-phenylethyl)-1,3,5-triazin-2-amine?
4-chloro-6-(2-phenylethyl)-1,3,5-triazin-2-amine has a molecular weight of 234.69 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-phenylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83241885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).