4-chloro-6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-cyclopropyl-1,3,5-triazin-2-amine

C23H24Cl2N6 — CID 71598299

IUPAC4-chloro-6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-cyclopropyl-1,3,5-triazin-2-amine
SMILESClc1ccc(C(c2ccccc2)N2CCN(c3nc(Cl)nc(NC4CC4)n3)CC2)cc1
InChIInChI=1S/C23H24Cl2N6/c24-18-8-6-17(7-9-18)20(16-4-2-1-3-5-16)30-12-14-31(15-13-30)23-28-21(25)27-22(29-23)26-19-10-11-19/h1-9,19-20H,10-15H2,(H,26,27,28,29)
InChIKeyXOZBBKVBFABITG-UHFFFAOYSA-N
MW455.39 g/mol
LogP4.66
Rot. Bonds6

About 4-chloro-6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-cyclopropyl-1,3,5-triazin-2-amine

4-chloro-6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-cyclopropyl-1,3,5-triazin-2-amine (PubChem CID 71598299) has the molecular formula C23H24Cl2N6 and a molecular weight of 455.39 g/mol. Its IUPAC name is 4-chloro-6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-cyclopropyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-cyclopropyl-1,3,5-triazin-2-amine
PubChem CID71598299
Molecular FormulaC23H24Cl2N6
Molecular Weight455.39 g/mol
Exact Mass454.14
IUPAC Name4-chloro-6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-cyclopropyl-1,3,5-triazin-2-amine
SMILESClc1ccc(C(c2ccccc2)N2CCN(c3nc(Cl)nc(NC4CC4)n3)CC2)cc1
InChIInChI=1S/C23H24Cl2N6/c24-18-8-6-17(7-9-18)20(16-4-2-1-3-5-16)30-12-14-31(15-13-30)23-28-21(25)27-22(29-23)26-19-10-11-19/h1-9,19-20H,10-15H2,(H,26,27,28,29)
InChIKeyXOZBBKVBFABITG-UHFFFAOYSA-N
XLogP4.66
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-cyclopropyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-cyclopropyl-1,3,5-triazin-2-amine (CID 71598299) is 4-chloro-6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-cyclopropyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-cyclopropyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-cyclopropyl-1,3,5-triazin-2-amine is Clc1ccc(C(c2ccccc2)N2CCN(c3nc(Cl)nc(NC4CC4)n3)CC2)cc1.
What is the InChIKey of 4-chloro-6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-cyclopropyl-1,3,5-triazin-2-amine?
The InChIKey is XOZBBKVBFABITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N6/c24-18-8-6-17(7-9-18)20(16-4-2-1-3-5-16)30-12-14-31(15-13-30)23-28-21(25)27-22(29-23)26-19-10-11-19/h1-9,19-20H,10-15H2,(H,26,27,28,29).
What are the key properties of 4-chloro-6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-cyclopropyl-1,3,5-triazin-2-amine?
4-chloro-6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-cyclopropyl-1,3,5-triazin-2-amine has a molecular weight of 455.39 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-N-cyclopropyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 71598299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).