2,5-dichloropyrimidine

C4H2Cl2N2 — CID 590641

IUPAC2,5-dichloropyrimidine
SMILESClc1cnc(Cl)nc1
InChIInChI=1S/C4H2Cl2N2/c5-3-1-7-4(6)8-2-3/h1-2H
InChIKeyCEJAHXLRNZJPQH-UHFFFAOYSA-N
MW148.98 g/mol
LogP1.78
Rot. Bonds

About 2,5-dichloropyrimidine

2,5-dichloropyrimidine (PubChem CID 590641) has the molecular formula C4H2Cl2N2 and a molecular weight of 148.98 g/mol. Its IUPAC name is 2,5-dichloropyrimidine.

Molecular Properties

Compound Name2,5-dichloropyrimidine
PubChem CID590641
Molecular FormulaC4H2Cl2N2
Molecular Weight148.98 g/mol
Exact Mass147.96
IUPAC Name2,5-dichloropyrimidine
SMILESClc1cnc(Cl)nc1
InChIInChI=1S/C4H2Cl2N2/c5-3-1-7-4(6)8-2-3/h1-2H
InChIKeyCEJAHXLRNZJPQH-UHFFFAOYSA-N
XLogP1.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.98
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloropyrimidine?
The IUPAC name of 2,5-dichloropyrimidine (CID 590641) is 2,5-dichloropyrimidine.
What is the SMILES notation for 2,5-dichloropyrimidine?
The canonical SMILES for 2,5-dichloropyrimidine is Clc1cnc(Cl)nc1.
What is the InChIKey of 2,5-dichloropyrimidine?
The InChIKey is CEJAHXLRNZJPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2N2/c5-3-1-7-4(6)8-2-3/h1-2H.
What are the key properties of 2,5-dichloropyrimidine?
2,5-dichloropyrimidine has a molecular weight of 148.98 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloropyrimidine is sourced from PubChem (CID 590641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).