2,4-dichloro-6-methylpyrimidine-5-carbonyl chloride

C6H3Cl3N2O — CID 18972875

IUPAC2,4-dichloro-6-methylpyrimidine-5-carbonyl chloride
SMILESCc1nc(Cl)nc(Cl)c1C(=O)Cl
InChIInChI=1S/C6H3Cl3N2O/c1-2-3(5(8)12)4(7)11-6(9)10-2/h1H3
InChIKeyCZDDPXPRMKKTNT-UHFFFAOYSA-N
MW225.46 g/mol
LogP2.47
Rot. Bonds1

About 2,4-dichloro-6-methylpyrimidine-5-carbonyl chloride

2,4-dichloro-6-methylpyrimidine-5-carbonyl chloride (PubChem CID 18972875) has the molecular formula C6H3Cl3N2O and a molecular weight of 225.46 g/mol. Its IUPAC name is 2,4-dichloro-6-methylpyrimidine-5-carbonyl chloride.

Molecular Properties

Compound Name2,4-dichloro-6-methylpyrimidine-5-carbonyl chloride
PubChem CID18972875
Molecular FormulaC6H3Cl3N2O
Molecular Weight225.46 g/mol
Exact Mass223.93
IUPAC Name2,4-dichloro-6-methylpyrimidine-5-carbonyl chloride
SMILESCc1nc(Cl)nc(Cl)c1C(=O)Cl
InChIInChI=1S/C6H3Cl3N2O/c1-2-3(5(8)12)4(7)11-6(9)10-2/h1H3
InChIKeyCZDDPXPRMKKTNT-UHFFFAOYSA-N
XLogP2.47
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.46
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methylpyrimidine-5-carbonyl chloride?
The IUPAC name of 2,4-dichloro-6-methylpyrimidine-5-carbonyl chloride (CID 18972875) is 2,4-dichloro-6-methylpyrimidine-5-carbonyl chloride.
What is the SMILES notation for 2,4-dichloro-6-methylpyrimidine-5-carbonyl chloride?
The canonical SMILES for 2,4-dichloro-6-methylpyrimidine-5-carbonyl chloride is Cc1nc(Cl)nc(Cl)c1C(=O)Cl.
What is the InChIKey of 2,4-dichloro-6-methylpyrimidine-5-carbonyl chloride?
The InChIKey is CZDDPXPRMKKTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3N2O/c1-2-3(5(8)12)4(7)11-6(9)10-2/h1H3.
What are the key properties of 2,4-dichloro-6-methylpyrimidine-5-carbonyl chloride?
2,4-dichloro-6-methylpyrimidine-5-carbonyl chloride has a molecular weight of 225.46 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methylpyrimidine-5-carbonyl chloride is sourced from PubChem (CID 18972875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).