2,4-bis[(4-fluorophenyl)sulfanyl]pyrimidine

C16H10F2N2S2 — CID 901128

IUPAC2,4-bis[(4-fluorophenyl)sulfanyl]pyrimidine
SMILESFc1ccc(Sc2ccnc(Sc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H10F2N2S2/c17-11-1-5-13(6-2-11)21-15-9-10-19-16(20-15)22-14-7-3-12(18)4-8-14/h1-10H
InChIKeyRPNGCGLZZKVDKK-UHFFFAOYSA-N
MW332.40 g/mol
LogP5.06
Rot. Bonds4

About 2,4-bis[(4-fluorophenyl)sulfanyl]pyrimidine

2,4-bis[(4-fluorophenyl)sulfanyl]pyrimidine (PubChem CID 901128) has the molecular formula C16H10F2N2S2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2,4-bis[(4-fluorophenyl)sulfanyl]pyrimidine.

Molecular Properties

Compound Name2,4-bis[(4-fluorophenyl)sulfanyl]pyrimidine
PubChem CID901128
Molecular FormulaC16H10F2N2S2
Molecular Weight332.40 g/mol
Exact Mass332.03
IUPAC Name2,4-bis[(4-fluorophenyl)sulfanyl]pyrimidine
SMILESFc1ccc(Sc2ccnc(Sc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H10F2N2S2/c17-11-1-5-13(6-2-11)21-15-9-10-19-16(20-15)22-14-7-3-12(18)4-8-14/h1-10H
InChIKeyRPNGCGLZZKVDKK-UHFFFAOYSA-N
XLogP5.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(4-fluorophenyl)sulfanyl]pyrimidine?
The IUPAC name of 2,4-bis[(4-fluorophenyl)sulfanyl]pyrimidine (CID 901128) is 2,4-bis[(4-fluorophenyl)sulfanyl]pyrimidine.
What is the SMILES notation for 2,4-bis[(4-fluorophenyl)sulfanyl]pyrimidine?
The canonical SMILES for 2,4-bis[(4-fluorophenyl)sulfanyl]pyrimidine is Fc1ccc(Sc2ccnc(Sc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2,4-bis[(4-fluorophenyl)sulfanyl]pyrimidine?
The InChIKey is RPNGCGLZZKVDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2S2/c17-11-1-5-13(6-2-11)21-15-9-10-19-16(20-15)22-14-7-3-12(18)4-8-14/h1-10H.
What are the key properties of 2,4-bis[(4-fluorophenyl)sulfanyl]pyrimidine?
2,4-bis[(4-fluorophenyl)sulfanyl]pyrimidine has a molecular weight of 332.40 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(4-fluorophenyl)sulfanyl]pyrimidine is sourced from PubChem (CID 901128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).