4,5-dichloro-6-methylpyrimidine

C5H4Cl2N2 — CID 11789537

IUPAC4,5-dichloro-6-methylpyrimidine
SMILESCc1ncnc(Cl)c1Cl
InChIInChI=1S/C5H4Cl2N2/c1-3-4(6)5(7)9-2-8-3/h2H,1H3
InChIKeySIUNBOQRQYAIJI-UHFFFAOYSA-N
MW163.01 g/mol
LogP2.09
Rot. Bonds

About 4,5-dichloro-6-methylpyrimidine

4,5-dichloro-6-methylpyrimidine (PubChem CID 11789537) has the molecular formula C5H4Cl2N2 and a molecular weight of 163.01 g/mol. Its IUPAC name is 4,5-dichloro-6-methylpyrimidine.

Molecular Properties

Compound Name4,5-dichloro-6-methylpyrimidine
PubChem CID11789537
Molecular FormulaC5H4Cl2N2
Molecular Weight163.01 g/mol
Exact Mass161.98
IUPAC Name4,5-dichloro-6-methylpyrimidine
SMILESCc1ncnc(Cl)c1Cl
InChIInChI=1S/C5H4Cl2N2/c1-3-4(6)5(7)9-2-8-3/h2H,1H3
InChIKeySIUNBOQRQYAIJI-UHFFFAOYSA-N
XLogP2.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.01
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-6-methylpyrimidine?
The IUPAC name of 4,5-dichloro-6-methylpyrimidine (CID 11789537) is 4,5-dichloro-6-methylpyrimidine.
What is the SMILES notation for 4,5-dichloro-6-methylpyrimidine?
The canonical SMILES for 4,5-dichloro-6-methylpyrimidine is Cc1ncnc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-6-methylpyrimidine?
The InChIKey is SIUNBOQRQYAIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2/c1-3-4(6)5(7)9-2-8-3/h2H,1H3.
What are the key properties of 4,5-dichloro-6-methylpyrimidine?
4,5-dichloro-6-methylpyrimidine has a molecular weight of 163.01 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-6-methylpyrimidine is sourced from PubChem (CID 11789537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).