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

C10H11FN2 — CID 3087476

IUPAC5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine
SMILESFc1ccccc1C1CN=CNC1
InChIInChI=1S/C10H11FN2/c11-10-4-2-1-3-9(10)8-5-12-7-13-6-8/h1-4,7-8H,5-6H2,(H,12,13)
InChIKeyZLBLOIBVMVPLAV-UHFFFAOYSA-N
MW178.21 g/mol
LogP1.54
Rot. Bonds1

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

5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 3087476) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine
PubChem CID3087476
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine
SMILESFc1ccccc1C1CN=CNC1
InChIInChI=1S/C10H11FN2/c11-10-4-2-1-3-9(10)8-5-12-7-13-6-8/h1-4,7-8H,5-6H2,(H,12,13)
InChIKeyZLBLOIBVMVPLAV-UHFFFAOYSA-N
XLogP1.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 3061021
5-[(8-fluoro-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole
CID 12981867
5-[(7-fluoro-3,4-dihydronaphthalen-2-yl)methyl]-4,5-dihydro-1H-imidazole
CID 12981869
(3,3-Diphenyl-propyl)-((E)-1,4,5,6,7,8-hexahydro-[1,3]diazocin-2-yl)-amine
CID 19820448
(3,3-Diphenyl-propyl)-(1,4,5,6-tetrahydro-pyrimidin-2-yl)-amine
CID 19820454
(2,2-Diphenyl-ethyl)-((E)-1,4,5,6,7,8-hexahydro-[1,3]diazocin-2-yl)-amine
CID 19820460
(2,2-Diphenyl-ethyl)-(1-methyl-1,4,5,6-tetrahydro-pyrimidin-2-yl)-amine
CID 19820462
(2,2-Diphenyl-ethyl)-(1,4,5,6-tetrahydro-pyrimidin-2-yl)-amine
CID 19820471
(3,3-Diphenyl-propyl)-(4,5,6,7-tetrahydro-1H-[1,3]diazepin-2-yl)-amine
CID 19820474
(2,2-Diphenyl-ethyl)-(4,5,6,7-tetrahydro-1H-[1,3]diazepin-2-yl)-amine
CID 19820507
Pyrimidine, 1,4,5,6-tetrahydro-2-methyl-5-phenyl-, monohydrochloride
CID 217092
Pyrimidine, 1,4,5,6-tetrahydro-5-(2-fluorophenyl)-, monohydrochloride
CID 3087475

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine (CID 3087476) is 5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine is Fc1ccccc1C1CN=CNC1.
What is the InChIKey of 5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is ZLBLOIBVMVPLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c11-10-4-2-1-3-9(10)8-5-12-7-13-6-8/h1-4,7-8H,5-6H2,(H,12,13).
What are the key properties of 5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine?
5-(2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 178.21 g/mol, XLogP of 1.54, 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 is sourced from PubChem (CID 3087476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).