2-(4-fluorophenyl)-1,2-dihydropyrimidine

C10H9FN2 — CID 18332344

IUPAC2-(4-fluorophenyl)-1,2-dihydropyrimidine
SMILESFc1ccc(C2N=CC=CN2)cc1
InChIInChI=1S/C10H9FN2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h1-7,10,12H
InChIKeyZETGLWJYSGZOTN-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.01
Rot. Bonds1

About 2-(4-fluorophenyl)-1,2-dihydropyrimidine

2-(4-fluorophenyl)-1,2-dihydropyrimidine (PubChem CID 18332344) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1,2-dihydropyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1,2-dihydropyrimidine
PubChem CID18332344
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name2-(4-fluorophenyl)-1,2-dihydropyrimidine
SMILESFc1ccc(C2N=CC=CN2)cc1
InChIInChI=1S/C10H9FN2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h1-7,10,12H
InChIKeyZETGLWJYSGZOTN-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1,2-dihydropyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-1,2-dihydropyrimidine (CID 18332344) is 2-(4-fluorophenyl)-1,2-dihydropyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-1,2-dihydropyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-1,2-dihydropyrimidine is Fc1ccc(C2N=CC=CN2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1,2-dihydropyrimidine?
The InChIKey is ZETGLWJYSGZOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c11-9-4-2-8(3-5-9)10-12-6-1-7-13-10/h1-7,10,12H.
What are the key properties of 2-(4-fluorophenyl)-1,2-dihydropyrimidine?
2-(4-fluorophenyl)-1,2-dihydropyrimidine has a molecular weight of 176.19 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1,2-dihydropyrimidine is sourced from PubChem (CID 18332344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).