4,6-dichloro-5-(4-fluorophenyl)-2-(thiophen-2-ylmethyl)pyrimidine

C15H9Cl2FN2S — CID 79432128

IUPAC4,6-dichloro-5-(4-fluorophenyl)-2-(thiophen-2-ylmethyl)pyrimidine
SMILESFc1ccc(-c2c(Cl)nc(Cc3cccs3)nc2Cl)cc1
InChIInChI=1S/C15H9Cl2FN2S/c16-14-13(9-3-5-10(18)6-4-9)15(17)20-12(19-14)8-11-2-1-7-21-11/h1-7H,8H2
InChIKeyKSPLEVFAGRZNSY-UHFFFAOYSA-N
MW339.22 g/mol
LogP5.24
Rot. Bonds3

About 4,6-dichloro-5-(4-fluorophenyl)-2-(thiophen-2-ylmethyl)pyrimidine

4,6-dichloro-5-(4-fluorophenyl)-2-(thiophen-2-ylmethyl)pyrimidine (PubChem CID 79432128) has the molecular formula C15H9Cl2FN2S and a molecular weight of 339.22 g/mol. Its IUPAC name is 4,6-dichloro-5-(4-fluorophenyl)-2-(thiophen-2-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(4-fluorophenyl)-2-(thiophen-2-ylmethyl)pyrimidine
PubChem CID79432128
Molecular FormulaC15H9Cl2FN2S
Molecular Weight339.22 g/mol
Exact Mass337.98
IUPAC Name4,6-dichloro-5-(4-fluorophenyl)-2-(thiophen-2-ylmethyl)pyrimidine
SMILESFc1ccc(-c2c(Cl)nc(Cc3cccs3)nc2Cl)cc1
InChIInChI=1S/C15H9Cl2FN2S/c16-14-13(9-3-5-10(18)6-4-9)15(17)20-12(19-14)8-11-2-1-7-21-11/h1-7H,8H2
InChIKeyKSPLEVFAGRZNSY-UHFFFAOYSA-N
XLogP5.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.22
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(4-fluorophenyl)-2-(thiophen-2-ylmethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(4-fluorophenyl)-2-(thiophen-2-ylmethyl)pyrimidine (CID 79432128) is 4,6-dichloro-5-(4-fluorophenyl)-2-(thiophen-2-ylmethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(4-fluorophenyl)-2-(thiophen-2-ylmethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(4-fluorophenyl)-2-(thiophen-2-ylmethyl)pyrimidine is Fc1ccc(-c2c(Cl)nc(Cc3cccs3)nc2Cl)cc1.
What is the InChIKey of 4,6-dichloro-5-(4-fluorophenyl)-2-(thiophen-2-ylmethyl)pyrimidine?
The InChIKey is KSPLEVFAGRZNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2S/c16-14-13(9-3-5-10(18)6-4-9)15(17)20-12(19-14)8-11-2-1-7-21-11/h1-7H,8H2.
What are the key properties of 4,6-dichloro-5-(4-fluorophenyl)-2-(thiophen-2-ylmethyl)pyrimidine?
4,6-dichloro-5-(4-fluorophenyl)-2-(thiophen-2-ylmethyl)pyrimidine has a molecular weight of 339.22 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(4-fluorophenyl)-2-(thiophen-2-ylmethyl)pyrimidine is sourced from PubChem (CID 79432128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).