2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine

C13H10Cl2N2O — CID 79633379

IUPAC2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine
SMILESClc1ncc(Cl)c(Oc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C13H10Cl2N2O/c14-11-7-16-13(15)17-12(11)18-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2
InChIKeyWUSFDWWUOCGDTH-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.06
Rot. Bonds2

About 2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine

2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine (PubChem CID 79633379) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine
PubChem CID79633379
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine
SMILESClc1ncc(Cl)c(Oc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C13H10Cl2N2O/c14-11-7-16-13(15)17-12(11)18-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2
InChIKeyWUSFDWWUOCGDTH-UHFFFAOYSA-N
XLogP4.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine 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 2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine?
The IUPAC name of 2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine (CID 79633379) is 2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine?
The canonical SMILES for 2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine is Clc1ncc(Cl)c(Oc2ccc3c(c2)CCC3)n1.
What is the InChIKey of 2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine?
The InChIKey is WUSFDWWUOCGDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c14-11-7-16-13(15)17-12(11)18-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2.
What are the key properties of 2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine?
2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine has a molecular weight of 281.14 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine is sourced from PubChem (CID 79633379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).