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

C10H11BrN2 — CID 44623001

IUPAC2-(2-bromophenyl)-1,4,5,6-tetrahydropyrimidine
SMILESBrc1ccccc1C1=NCCCN1
InChIInChI=1S/C10H11BrN2/c11-9-5-2-1-4-8(9)10-12-6-3-7-13-10/h1-2,4-5H,3,6-7H2,(H,12,13)
InChIKeyJDUJTEMEOTVMIV-UHFFFAOYSA-N
MW239.12 g/mol
LogP2.19
Rot. Bonds1

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

2-(2-bromophenyl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 44623001) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1,4,5,6-tetrahydropyrimidine
PubChem CID44623001
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name2-(2-bromophenyl)-1,4,5,6-tetrahydropyrimidine
SMILESBrc1ccccc1C1=NCCCN1
InChIInChI=1S/C10H11BrN2/c11-9-5-2-1-4-8(9)10-12-6-3-7-13-10/h1-2,4-5H,3,6-7H2,(H,12,13)
InChIKeyJDUJTEMEOTVMIV-UHFFFAOYSA-N
XLogP2.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromophenyl)-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(2-bromophenyl)-1,4,5,6-tetrahydropyrimidine (CID 44623001) is 2-(2-bromophenyl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(2-bromophenyl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(2-bromophenyl)-1,4,5,6-tetrahydropyrimidine is Brc1ccccc1C1=NCCCN1.
What is the InChIKey of 2-(2-bromophenyl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is JDUJTEMEOTVMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c11-9-5-2-1-4-8(9)10-12-6-3-7-13-10/h1-2,4-5H,3,6-7H2,(H,12,13).
What are the key properties of 2-(2-bromophenyl)-1,4,5,6-tetrahydropyrimidine?
2-(2-bromophenyl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 239.12 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 44623001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).