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

C18H14Cl2N4S2 — CID 155805219

IUPAC4,6-bis[(4-chlorophenyl)sulfanyl]-N-cyclopropyl-1,3,5-triazin-2-amine
SMILESClc1ccc(Sc2nc(NC3CC3)nc(Sc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H14Cl2N4S2/c19-11-1-7-14(8-2-11)25-17-22-16(21-13-5-6-13)23-18(24-17)26-15-9-3-12(20)4-10-15/h1-4,7-10,13H,5-6H2,(H,21,22,23,24)
InChIKeyYFVMEYIDKBNPJI-UHFFFAOYSA-N
MW421.38 g/mol
LogP6.06
Rot. Bonds6

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

4,6-bis[(4-chlorophenyl)sulfanyl]-N-cyclopropyl-1,3,5-triazin-2-amine (PubChem CID 155805219) has the molecular formula C18H14Cl2N4S2 and a molecular weight of 421.38 g/mol. Its IUPAC name is 4,6-bis[(4-chlorophenyl)sulfanyl]-N-cyclopropyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis[(4-chlorophenyl)sulfanyl]-N-cyclopropyl-1,3,5-triazin-2-amine
PubChem CID155805219
Molecular FormulaC18H14Cl2N4S2
Molecular Weight421.38 g/mol
Exact Mass420.00
IUPAC Name4,6-bis[(4-chlorophenyl)sulfanyl]-N-cyclopropyl-1,3,5-triazin-2-amine
SMILESClc1ccc(Sc2nc(NC3CC3)nc(Sc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H14Cl2N4S2/c19-11-1-7-14(8-2-11)25-17-22-16(21-13-5-6-13)23-18(24-17)26-15-9-3-12(20)4-10-15/h1-4,7-10,13H,5-6H2,(H,21,22,23,24)
InChIKeyYFVMEYIDKBNPJI-UHFFFAOYSA-N
XLogP6.06
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.38
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis[(4-chlorophenyl)sulfanyl]-N-cyclopropyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis[(4-chlorophenyl)sulfanyl]-N-cyclopropyl-1,3,5-triazin-2-amine (CID 155805219) is 4,6-bis[(4-chlorophenyl)sulfanyl]-N-cyclopropyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis[(4-chlorophenyl)sulfanyl]-N-cyclopropyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis[(4-chlorophenyl)sulfanyl]-N-cyclopropyl-1,3,5-triazin-2-amine is Clc1ccc(Sc2nc(NC3CC3)nc(Sc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4,6-bis[(4-chlorophenyl)sulfanyl]-N-cyclopropyl-1,3,5-triazin-2-amine?
The InChIKey is YFVMEYIDKBNPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4S2/c19-11-1-7-14(8-2-11)25-17-22-16(21-13-5-6-13)23-18(24-17)26-15-9-3-12(20)4-10-15/h1-4,7-10,13H,5-6H2,(H,21,22,23,24).
What are the key properties of 4,6-bis[(4-chlorophenyl)sulfanyl]-N-cyclopropyl-1,3,5-triazin-2-amine?
4,6-bis[(4-chlorophenyl)sulfanyl]-N-cyclopropyl-1,3,5-triazin-2-amine has a molecular weight of 421.38 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[(4-chlorophenyl)sulfanyl]-N-cyclopropyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 155805219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).