4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine

C16H12Cl2N4 — CID 135338526

IUPAC4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NCc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C16H12Cl2N4/c17-14-20-15(18)22-16(21-14)19-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,19,20,21,22)
InChIKeyZIMXKCHNPASSEF-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.46
Rot. Bonds4

About 4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine

4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine (PubChem CID 135338526) has the molecular formula C16H12Cl2N4 and a molecular weight of 331.21 g/mol. Its IUPAC name is 4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine
PubChem CID135338526
Molecular FormulaC16H12Cl2N4
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NCc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C16H12Cl2N4/c17-14-20-15(18)22-16(21-14)19-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,19,20,21,22)
InChIKeyZIMXKCHNPASSEF-UHFFFAOYSA-N
XLogP4.46
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine (CID 135338526) is 4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine is Clc1nc(Cl)nc(NCc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is ZIMXKCHNPASSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4/c17-14-20-15(18)22-16(21-14)19-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,19,20,21,22).
What are the key properties of 4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine?
4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 331.21 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 135338526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).