4,6-bis[(4-chlorophenyl)methyl]-1,3,5-triazin-2-amine

C17H14Cl2N4 — CID 44531315

IUPAC4,6-bis[(4-chlorophenyl)methyl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cc2ccc(Cl)cc2)nc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H14Cl2N4/c18-13-5-1-11(2-6-13)9-15-21-16(23-17(20)22-15)10-12-3-7-14(19)8-4-12/h1-8H,9-10H2,(H2,20,21,22,23)
InChIKeyPLQFQWTWZUMTMM-UHFFFAOYSA-N
MW345.23 g/mol
LogP3.94
Rot. Bonds4

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

4,6-bis[(4-chlorophenyl)methyl]-1,3,5-triazin-2-amine (PubChem CID 44531315) has the molecular formula C17H14Cl2N4 and a molecular weight of 345.23 g/mol. Its IUPAC name is 4,6-bis[(4-chlorophenyl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis[(4-chlorophenyl)methyl]-1,3,5-triazin-2-amine
PubChem CID44531315
Molecular FormulaC17H14Cl2N4
Molecular Weight345.23 g/mol
Exact Mass344.06
IUPAC Name4,6-bis[(4-chlorophenyl)methyl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cc2ccc(Cl)cc2)nc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C17H14Cl2N4/c18-13-5-1-11(2-6-13)9-15-21-16(23-17(20)22-15)10-12-3-7-14(19)8-4-12/h1-8H,9-10H2,(H2,20,21,22,23)
InChIKeyPLQFQWTWZUMTMM-UHFFFAOYSA-N
XLogP3.94
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis[(4-chlorophenyl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis[(4-chlorophenyl)methyl]-1,3,5-triazin-2-amine (CID 44531315) is 4,6-bis[(4-chlorophenyl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis[(4-chlorophenyl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis[(4-chlorophenyl)methyl]-1,3,5-triazin-2-amine is Nc1nc(Cc2ccc(Cl)cc2)nc(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 4,6-bis[(4-chlorophenyl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is PLQFQWTWZUMTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4/c18-13-5-1-11(2-6-13)9-15-21-16(23-17(20)22-15)10-12-3-7-14(19)8-4-12/h1-8H,9-10H2,(H2,20,21,22,23).
What are the key properties of 4,6-bis[(4-chlorophenyl)methyl]-1,3,5-triazin-2-amine?
4,6-bis[(4-chlorophenyl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 345.23 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[(4-chlorophenyl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 44531315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).