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

C10H11FN2 — CID 167033055

IUPAC4-(4-fluorophenyl)-1,2,5,6-tetrahydropyrimidine
SMILESFc1ccc(C2=NCNCC2)cc1
InChIInChI=1S/C10H11FN2/c11-9-3-1-8(2-4-9)10-5-6-12-7-13-10/h1-4,12H,5-7H2
InChIKeyBWJAHSDWPBBUKI-UHFFFAOYSA-N
MW178.21 g/mol
LogP1.57
Rot. Bonds1

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

4-(4-fluorophenyl)-1,2,5,6-tetrahydropyrimidine (PubChem CID 167033055) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1,2,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1,2,5,6-tetrahydropyrimidine
PubChem CID167033055
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name4-(4-fluorophenyl)-1,2,5,6-tetrahydropyrimidine
SMILESFc1ccc(C2=NCNCC2)cc1
InChIInChI=1S/C10H11FN2/c11-9-3-1-8(2-4-9)10-5-6-12-7-13-10/h1-4,12H,5-7H2
InChIKeyBWJAHSDWPBBUKI-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1,2,5,6-tetrahydropyrimidine?
The IUPAC name of 4-(4-fluorophenyl)-1,2,5,6-tetrahydropyrimidine (CID 167033055) is 4-(4-fluorophenyl)-1,2,5,6-tetrahydropyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)-1,2,5,6-tetrahydropyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)-1,2,5,6-tetrahydropyrimidine is Fc1ccc(C2=NCNCC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1,2,5,6-tetrahydropyrimidine?
The InChIKey is BWJAHSDWPBBUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c11-9-3-1-8(2-4-9)10-5-6-12-7-13-10/h1-4,12H,5-7H2.
What are the key properties of 4-(4-fluorophenyl)-1,2,5,6-tetrahydropyrimidine?
4-(4-fluorophenyl)-1,2,5,6-tetrahydropyrimidine has a molecular weight of 178.21 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1,2,5,6-tetrahydropyrimidine is sourced from PubChem (CID 167033055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).