5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine;hydrochloride

C10H12ClFN2 — CID 3087475

IUPAC5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine;hydrochloride
SMILESCl.Fc1ccccc1C1CN=CNC1
InChIInChI=1S/C10H11FN2.ClH/c11-10-4-2-1-3-9(10)8-5-12-7-13-6-8;/h1-4,7-8H,5-6H2,(H,12,13);1H
InChIKeyQHNGZXOVGBHRAH-UHFFFAOYSA-N
MW214.67 g/mol
LogP1.96
Rot. Bonds1

About 5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine;hydrochloride

5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine;hydrochloride (PubChem CID 3087475) has the molecular formula C10H12ClFN2 and a molecular weight of 214.67 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine;hydrochloride.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine;hydrochloride
PubChem CID3087475
Molecular FormulaC10H12ClFN2
Molecular Weight214.67 g/mol
Exact Mass214.07
IUPAC Name5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine;hydrochloride
SMILESCl.Fc1ccccc1C1CN=CNC1
InChIInChI=1S/C10H11FN2.ClH/c11-10-4-2-1-3-9(10)8-5-12-7-13-6-8;/h1-4,7-8H,5-6H2,(H,12,13);1H
InChIKeyQHNGZXOVGBHRAH-UHFFFAOYSA-N
XLogP1.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine;hydrochloride?
The IUPAC name of 5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine;hydrochloride (CID 3087475) is 5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine;hydrochloride.
What is the SMILES notation for 5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine;hydrochloride?
The canonical SMILES for 5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine;hydrochloride is Cl.Fc1ccccc1C1CN=CNC1.
What is the InChIKey of 5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine;hydrochloride?
The InChIKey is QHNGZXOVGBHRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2.ClH/c11-10-4-2-1-3-9(10)8-5-12-7-13-6-8;/h1-4,7-8H,5-6H2,(H,12,13);1H.
What are the key properties of 5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine;hydrochloride?
5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine;hydrochloride has a molecular weight of 214.67 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine;hydrochloride is sourced from PubChem (CID 3087475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).