2,4-dichloro-6-methoxy-5-methylpyrimidine

C6H6Cl2N2O — CID 118141128

IUPAC2,4-dichloro-6-methoxy-5-methylpyrimidine
SMILESCOc1nc(Cl)nc(Cl)c1C
InChIInChI=1S/C6H6Cl2N2O/c1-3-4(7)9-6(8)10-5(3)11-2/h1-2H3
InChIKeyGAUPDKMBHBHNNJ-UHFFFAOYSA-N
MW193.03 g/mol
LogP2.10
Rot. Bonds1

About 2,4-dichloro-6-methoxy-5-methylpyrimidine

2,4-dichloro-6-methoxy-5-methylpyrimidine (PubChem CID 118141128) has the molecular formula C6H6Cl2N2O and a molecular weight of 193.03 g/mol. Its IUPAC name is 2,4-dichloro-6-methoxy-5-methylpyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-methoxy-5-methylpyrimidine
PubChem CID118141128
Molecular FormulaC6H6Cl2N2O
Molecular Weight193.03 g/mol
Exact Mass191.99
IUPAC Name2,4-dichloro-6-methoxy-5-methylpyrimidine
SMILESCOc1nc(Cl)nc(Cl)c1C
InChIInChI=1S/C6H6Cl2N2O/c1-3-4(7)9-6(8)10-5(3)11-2/h1-2H3
InChIKeyGAUPDKMBHBHNNJ-UHFFFAOYSA-N
XLogP2.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.03
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methoxy-5-methylpyrimidine?
The IUPAC name of 2,4-dichloro-6-methoxy-5-methylpyrimidine (CID 118141128) is 2,4-dichloro-6-methoxy-5-methylpyrimidine.
What is the SMILES notation for 2,4-dichloro-6-methoxy-5-methylpyrimidine?
The canonical SMILES for 2,4-dichloro-6-methoxy-5-methylpyrimidine is COc1nc(Cl)nc(Cl)c1C.
What is the InChIKey of 2,4-dichloro-6-methoxy-5-methylpyrimidine?
The InChIKey is GAUPDKMBHBHNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N2O/c1-3-4(7)9-6(8)10-5(3)11-2/h1-2H3.
What are the key properties of 2,4-dichloro-6-methoxy-5-methylpyrimidine?
2,4-dichloro-6-methoxy-5-methylpyrimidine has a molecular weight of 193.03 g/mol, XLogP of 2.10, 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-methoxy-5-methylpyrimidine is sourced from PubChem (CID 118141128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).