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

C10H10BrFN2 — CID 129104278

IUPAC2-(2-bromo-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine
SMILESFc1cccc(Br)c1C1=NCCCN1
InChIInChI=1S/C10H10BrFN2/c11-7-3-1-4-8(12)9(7)10-13-5-2-6-14-10/h1,3-4H,2,5-6H2,(H,13,14)
InChIKeyNUGNZJRNYVBUCD-UHFFFAOYSA-N
MW257.11 g/mol
LogP2.33
Rot. Bonds1

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

2-(2-bromo-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 129104278) has the molecular formula C10H10BrFN2 and a molecular weight of 257.11 g/mol. Its IUPAC name is 2-(2-bromo-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(2-bromo-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine
PubChem CID129104278
Molecular FormulaC10H10BrFN2
Molecular Weight257.11 g/mol
Exact Mass256.00
IUPAC Name2-(2-bromo-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine
SMILESFc1cccc(Br)c1C1=NCCCN1
InChIInChI=1S/C10H10BrFN2/c11-7-3-1-4-8(12)9(7)10-13-5-2-6-14-10/h1,3-4H,2,5-6H2,(H,13,14)
InChIKeyNUGNZJRNYVBUCD-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Phenyl-1,4,5,6-tetrahydropyrimidine
CID 408156
2-(4-bromophenyl)-4,5-dihydro-1H-imidazole
CID 3729659
2-(2-bromophenyl)-4,5-dihydro-1H-imidazole
CID 22744726
2-(2-Fluoro-4-methylphenyl)-1,4,5,6-tetrahydropyrimidine
CID 129104170
2-(2,4-Difluorophenyl)-1,4,5,6-tetrahydropyrimidine
CID 129104347
2-(2-Bromo-5-fluorophenyl)-1,4,5,6-tetrahydropyrimidine
CID 129104348
(6S)-2-(2-fluorophenyl)-6-methyl-1,4,5,6-tetrahydropyrimidine
CID 134861075
2-(4-Bromophenyl)-1,4,5,6-tetrahydropyrimidine
CID 4382393
2-(2-Bromophenyl)-1,4,5,6-tetrahydropyrimidine
CID 44623001
2-[(2-Bromo-5-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)guanidine
CID 75511951
N-(2-Bromo-5-fluorobenzyl)ethanamine
CID 20116293
2-[2-[2-(2-bromo-5-fluorophenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 59715244

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(2-bromo-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine (CID 129104278) is 2-(2-bromo-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(2-bromo-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(2-bromo-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine is Fc1cccc(Br)c1C1=NCCCN1.
What is the InChIKey of 2-(2-bromo-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is NUGNZJRNYVBUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2/c11-7-3-1-4-8(12)9(7)10-13-5-2-6-14-10/h1,3-4H,2,5-6H2,(H,13,14).
What are the key properties of 2-(2-bromo-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine?
2-(2-bromo-6-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-(2-bromo-6-fluorophenyl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 129104278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).