2-(2,5-dichlorophenyl)-2,5-dihydropyrimidine

C10H8Cl2N2 — CID 91071630

IUPAC2-(2,5-dichlorophenyl)-2,5-dihydropyrimidine
SMILESClc1ccc(Cl)c(C2N=CCC=N2)c1
InChIInChI=1S/C10H8Cl2N2/c11-7-2-3-9(12)8(6-7)10-13-4-1-5-14-10/h2-6,10H,1H2
InChIKeyQAOWUSFRPDUDBS-UHFFFAOYSA-N
MW227.09 g/mol
LogP3.54
Rot. Bonds1

About 2-(2,5-dichlorophenyl)-2,5-dihydropyrimidine

2-(2,5-dichlorophenyl)-2,5-dihydropyrimidine (PubChem CID 91071630) has the molecular formula C10H8Cl2N2 and a molecular weight of 227.09 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-2,5-dihydropyrimidine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-2,5-dihydropyrimidine
PubChem CID91071630
Molecular FormulaC10H8Cl2N2
Molecular Weight227.09 g/mol
Exact Mass226.01
IUPAC Name2-(2,5-dichlorophenyl)-2,5-dihydropyrimidine
SMILESClc1ccc(Cl)c(C2N=CCC=N2)c1
InChIInChI=1S/C10H8Cl2N2/c11-7-2-3-9(12)8(6-7)10-13-4-1-5-14-10/h2-6,10H,1H2
InChIKeyQAOWUSFRPDUDBS-UHFFFAOYSA-N
XLogP3.54
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dichlorophenyl)-2,5-dihydropyrimidine 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-(2,5-dichlorophenyl)-2,5-dihydropyrimidine?
The IUPAC name of 2-(2,5-dichlorophenyl)-2,5-dihydropyrimidine (CID 91071630) is 2-(2,5-dichlorophenyl)-2,5-dihydropyrimidine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-2,5-dihydropyrimidine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-2,5-dihydropyrimidine is Clc1ccc(Cl)c(C2N=CCC=N2)c1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-2,5-dihydropyrimidine?
The InChIKey is QAOWUSFRPDUDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2/c11-7-2-3-9(12)8(6-7)10-13-4-1-5-14-10/h2-6,10H,1H2.
What are the key properties of 2-(2,5-dichlorophenyl)-2,5-dihydropyrimidine?
2-(2,5-dichlorophenyl)-2,5-dihydropyrimidine has a molecular weight of 227.09 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-2,5-dihydropyrimidine is sourced from PubChem (CID 91071630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).