2-[2-(4-fluorophenyl)-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol

C20H17FN2OS — CID 15994032

IUPAC2-[2-(4-fluorophenyl)-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
SMILESOc1ccccc1C1CC(c2cccs2)=NC(c2ccc(F)cc2)N1
InChIInChI=1S/C20H17FN2OS/c21-14-9-7-13(8-10-14)20-22-16(15-4-1-2-5-18(15)24)12-17(23-20)19-6-3-11-25-19/h1-11,16,20,22,24H,12H2
InChIKeyFLFYYHXWDWKXRS-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.82
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol

2-[2-(4-fluorophenyl)-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol (PubChem CID 15994032) has the molecular formula C20H17FN2OS and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
PubChem CID15994032
Molecular FormulaC20H17FN2OS
Molecular Weight352.43 g/mol
Exact Mass352.10
IUPAC Name2-[2-(4-fluorophenyl)-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
SMILESOc1ccccc1C1CC(c2cccs2)=NC(c2ccc(F)cc2)N1
InChIInChI=1S/C20H17FN2OS/c21-14-9-7-13(8-10-14)20-22-16(15-4-1-2-5-18(15)24)12-17(23-20)19-6-3-11-25-19/h1-11,16,20,22,24H,12H2
InChIKeyFLFYYHXWDWKXRS-UHFFFAOYSA-N
XLogP4.82
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol?
The IUPAC name of 2-[2-(4-fluorophenyl)-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol (CID 15994032) is 2-[2-(4-fluorophenyl)-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol?
The canonical SMILES for 2-[2-(4-fluorophenyl)-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol is Oc1ccccc1C1CC(c2cccs2)=NC(c2ccc(F)cc2)N1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol?
The InChIKey is FLFYYHXWDWKXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2OS/c21-14-9-7-13(8-10-14)20-22-16(15-4-1-2-5-18(15)24)12-17(23-20)19-6-3-11-25-19/h1-11,16,20,22,24H,12H2.
What are the key properties of 2-[2-(4-fluorophenyl)-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol?
2-[2-(4-fluorophenyl)-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol has a molecular weight of 352.43 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-4-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol is sourced from PubChem (CID 15994032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).