2,4-dichloropyrimidine;hydrochloride

C4H3Cl3N2 — CID 75485240

IUPAC2,4-dichloropyrimidine;hydrochloride
SMILESCl.Clc1ccnc(Cl)n1
InChIInChI=1S/C4H2Cl2N2.ClH/c5-3-1-2-7-4(6)8-3;/h1-2H;1H
InChIKeyBUTPLPMMPOKGNI-UHFFFAOYSA-N
MW185.44 g/mol
LogP2.21
Rot. Bonds

About 2,4-dichloropyrimidine;hydrochloride

2,4-dichloropyrimidine;hydrochloride (PubChem CID 75485240) has the molecular formula C4H3Cl3N2 and a molecular weight of 185.44 g/mol. Its IUPAC name is 2,4-dichloropyrimidine;hydrochloride.

Molecular Properties

Compound Name2,4-dichloropyrimidine;hydrochloride
PubChem CID75485240
Molecular FormulaC4H3Cl3N2
Molecular Weight185.44 g/mol
Exact Mass183.94
IUPAC Name2,4-dichloropyrimidine;hydrochloride
SMILESCl.Clc1ccnc(Cl)n1
InChIInChI=1S/C4H2Cl2N2.ClH/c5-3-1-2-7-4(6)8-3;/h1-2H;1H
InChIKeyBUTPLPMMPOKGNI-UHFFFAOYSA-N
XLogP2.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.44
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloropyrimidine;hydrochloride?
The IUPAC name of 2,4-dichloropyrimidine;hydrochloride (CID 75485240) is 2,4-dichloropyrimidine;hydrochloride.
What is the SMILES notation for 2,4-dichloropyrimidine;hydrochloride?
The canonical SMILES for 2,4-dichloropyrimidine;hydrochloride is Cl.Clc1ccnc(Cl)n1.
What is the InChIKey of 2,4-dichloropyrimidine;hydrochloride?
The InChIKey is BUTPLPMMPOKGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl2N2.ClH/c5-3-1-2-7-4(6)8-3;/h1-2H;1H.
What are the key properties of 2,4-dichloropyrimidine;hydrochloride?
2,4-dichloropyrimidine;hydrochloride has a molecular weight of 185.44 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloropyrimidine;hydrochloride is sourced from PubChem (CID 75485240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).