2-fluoro-6-phenyl-1,2-dihydropyrimidine

C10H9FN2 — CID 18798200

IUPAC2-fluoro-6-phenyl-1,2-dihydropyrimidine
SMILESFC1N=CC=C(c2ccccc2)N1
InChIInChI=1S/C10H9FN2/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7,10,13H
InChIKeyVAQXFCHXCANQIH-UHFFFAOYSA-N
MW176.19 g/mol
LogP1.95
Rot. Bonds1

About 2-fluoro-6-phenyl-1,2-dihydropyrimidine

2-fluoro-6-phenyl-1,2-dihydropyrimidine (PubChem CID 18798200) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 2-fluoro-6-phenyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name2-fluoro-6-phenyl-1,2-dihydropyrimidine
PubChem CID18798200
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name2-fluoro-6-phenyl-1,2-dihydropyrimidine
SMILESFC1N=CC=C(c2ccccc2)N1
InChIInChI=1S/C10H9FN2/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7,10,13H
InChIKeyVAQXFCHXCANQIH-UHFFFAOYSA-N
XLogP1.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-phenyl-1,2-dihydropyrimidine?
The IUPAC name of 2-fluoro-6-phenyl-1,2-dihydropyrimidine (CID 18798200) is 2-fluoro-6-phenyl-1,2-dihydropyrimidine.
What is the SMILES notation for 2-fluoro-6-phenyl-1,2-dihydropyrimidine?
The canonical SMILES for 2-fluoro-6-phenyl-1,2-dihydropyrimidine is FC1N=CC=C(c2ccccc2)N1.
What is the InChIKey of 2-fluoro-6-phenyl-1,2-dihydropyrimidine?
The InChIKey is VAQXFCHXCANQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c11-10-12-7-6-9(13-10)8-4-2-1-3-5-8/h1-7,10,13H.
What are the key properties of 2-fluoro-6-phenyl-1,2-dihydropyrimidine?
2-fluoro-6-phenyl-1,2-dihydropyrimidine has a molecular weight of 176.19 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-phenyl-1,2-dihydropyrimidine is sourced from PubChem (CID 18798200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).