4-chloro-2-methoxy-5-methylpyrimidine

C6H7ClN2O — CID 53385566

IUPAC4-chloro-2-methoxy-5-methylpyrimidine
SMILESCOc1ncc(C)c(Cl)n1
InChIInChI=1S/C6H7ClN2O/c1-4-3-8-6(10-2)9-5(4)7/h3H,1-2H3
InChIKeyZLGUMTLRWKNCCA-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.45
Rot. Bonds1

About 4-chloro-2-methoxy-5-methylpyrimidine

4-chloro-2-methoxy-5-methylpyrimidine (PubChem CID 53385566) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 4-chloro-2-methoxy-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-methoxy-5-methylpyrimidine
PubChem CID53385566
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name4-chloro-2-methoxy-5-methylpyrimidine
SMILESCOc1ncc(C)c(Cl)n1
InChIInChI=1S/C6H7ClN2O/c1-4-3-8-6(10-2)9-5(4)7/h3H,1-2H3
InChIKeyZLGUMTLRWKNCCA-UHFFFAOYSA-N
XLogP1.45
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-methoxy-5-methylpyrimidine (CID 53385566) is 4-chloro-2-methoxy-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-methoxy-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-methoxy-5-methylpyrimidine is COc1ncc(C)c(Cl)n1.
What is the InChIKey of 4-chloro-2-methoxy-5-methylpyrimidine?
The InChIKey is ZLGUMTLRWKNCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-4-3-8-6(10-2)9-5(4)7/h3H,1-2H3.
What are the key properties of 4-chloro-2-methoxy-5-methylpyrimidine?
4-chloro-2-methoxy-5-methylpyrimidine has a molecular weight of 158.59 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-5-methylpyrimidine is sourced from PubChem (CID 53385566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).