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

C10H10BrFN2 — CID 71005632

IUPAC2-(4-bromo-2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine
SMILESFc1cc(Br)ccc1C1=NCCCN1
InChIInChI=1S/C10H10BrFN2/c11-7-2-3-8(9(12)6-7)10-13-4-1-5-14-10/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyGZNYZGPTUCXYLR-UHFFFAOYSA-N
MW257.11 g/mol
LogP2.33
Rot. Bonds1

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

2-(4-bromo-2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 71005632) has the molecular formula C10H10BrFN2 and a molecular weight of 257.11 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine
PubChem CID71005632
Molecular FormulaC10H10BrFN2
Molecular Weight257.11 g/mol
Exact Mass256.00
IUPAC Name2-(4-bromo-2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine
SMILESFc1cc(Br)ccc1C1=NCCCN1
InChIInChI=1S/C10H10BrFN2/c11-7-2-3-8(9(12)6-7)10-13-4-1-5-14-10/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyGZNYZGPTUCXYLR-UHFFFAOYSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenyl-1,4,5,6-tetrahydropyrimidine
CID 408156
2-(4-bromophenyl)-4,5-dihydro-1H-imidazole
CID 3729659
2-(4-Bromo-benzyl)-4,5-dihydro-1H-imidazole
CID 10490160
2-(4-bromophenyl)-N,N'-diethylethanimidamide;hydrochloride
CID 21430115
2-[(5S)-2-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-5-yl]ethanamine;hydrobromide
CID 53320245
2-(2-bromophenyl)-4,5-dihydro-1H-imidazole
CID 22744726
2-(2-Fluoro-4-methylphenyl)-1,4,5,6-tetrahydropyrimidine
CID 129104170
2-(2-Bromo-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine
CID 129104278
2-(2,4-Difluorophenyl)-1,4,5,6-tetrahydropyrimidine
CID 129104347
2-(2-Bromo-5-fluorophenyl)-1,4,5,6-tetrahydropyrimidine
CID 129104348
1-(4-Bromobenzenecarboximidoyl)pyrrolidine hydroiodide
CID 75481638
(6S)-2-(2-fluorophenyl)-6-methyl-1,4,5,6-tetrahydropyrimidine
CID 134861075

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine (CID 71005632) is 2-(4-bromo-2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine is Fc1cc(Br)ccc1C1=NCCCN1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is GZNYZGPTUCXYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2/c11-7-2-3-8(9(12)6-7)10-13-4-1-5-14-10/h2-3,6H,1,4-5H2,(H,13,14).
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine?
2-(4-bromo-2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 257.11 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 71005632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).