6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclopropyl-2,4-dihydro-1H-1,3,5-triazine

C13H15ClFN3S — CID 2798323

IUPAC6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclopropyl-2,4-dihydro-1H-1,3,5-triazine
SMILESFc1cccc(Cl)c1CSC1=NCN(C2CC2)CN1
InChIInChI=1S/C13H15ClFN3S/c14-11-2-1-3-12(15)10(11)6-19-13-16-7-18(8-17-13)9-4-5-9/h1-3,9H,4-8H2,(H,16,17)
InChIKeyGHBBCFSQKWWVMZ-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.05
Rot. Bonds3

About 6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclopropyl-2,4-dihydro-1H-1,3,5-triazine

6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclopropyl-2,4-dihydro-1H-1,3,5-triazine (PubChem CID 2798323) has the molecular formula C13H15ClFN3S and a molecular weight of 299.80 g/mol. Its IUPAC name is 6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclopropyl-2,4-dihydro-1H-1,3,5-triazine.

Molecular Properties

Compound Name6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclopropyl-2,4-dihydro-1H-1,3,5-triazine
PubChem CID2798323
Molecular FormulaC13H15ClFN3S
Molecular Weight299.80 g/mol
Exact Mass299.07
IUPAC Name6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclopropyl-2,4-dihydro-1H-1,3,5-triazine
SMILESFc1cccc(Cl)c1CSC1=NCN(C2CC2)CN1
InChIInChI=1S/C13H15ClFN3S/c14-11-2-1-3-12(15)10(11)6-19-13-16-7-18(8-17-13)9-4-5-9/h1-3,9H,4-8H2,(H,16,17)
InChIKeyGHBBCFSQKWWVMZ-UHFFFAOYSA-N
XLogP3.05
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclopropyl-2,4-dihydro-1H-1,3,5-triazine?
The IUPAC name of 6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclopropyl-2,4-dihydro-1H-1,3,5-triazine (CID 2798323) is 6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclopropyl-2,4-dihydro-1H-1,3,5-triazine.
What is the SMILES notation for 6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclopropyl-2,4-dihydro-1H-1,3,5-triazine?
The canonical SMILES for 6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclopropyl-2,4-dihydro-1H-1,3,5-triazine is Fc1cccc(Cl)c1CSC1=NCN(C2CC2)CN1.
What is the InChIKey of 6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclopropyl-2,4-dihydro-1H-1,3,5-triazine?
The InChIKey is GHBBCFSQKWWVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3S/c14-11-2-1-3-12(15)10(11)6-19-13-16-7-18(8-17-13)9-4-5-9/h1-3,9H,4-8H2,(H,16,17).
What are the key properties of 6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclopropyl-2,4-dihydro-1H-1,3,5-triazine?
6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclopropyl-2,4-dihydro-1H-1,3,5-triazine has a molecular weight of 299.80 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-cyclopropyl-2,4-dihydro-1H-1,3,5-triazine is sourced from PubChem (CID 2798323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).