2-chloro-4-methoxy-5-methylpyrimidine

C6H7ClN2O — CID 11051933

IUPAC2-chloro-4-methoxy-5-methylpyrimidine
SMILESCOc1nc(Cl)ncc1C
InChIInChI=1S/C6H7ClN2O/c1-4-3-8-6(7)9-5(4)10-2/h3H,1-2H3
InChIKeyRCJNDDNXUYCUOY-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.45
Rot. Bonds1

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

2-chloro-4-methoxy-5-methylpyrimidine (PubChem CID 11051933) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 2-chloro-4-methoxy-5-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-methoxy-5-methylpyrimidine
PubChem CID11051933
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name2-chloro-4-methoxy-5-methylpyrimidine
SMILESCOc1nc(Cl)ncc1C
InChIInChI=1S/C6H7ClN2O/c1-4-3-8-6(7)9-5(4)10-2/h3H,1-2H3
InChIKeyRCJNDDNXUYCUOY-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 2-chloro-4-methoxy-5-methylpyrimidine?
The IUPAC name of 2-chloro-4-methoxy-5-methylpyrimidine (CID 11051933) is 2-chloro-4-methoxy-5-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-methoxy-5-methylpyrimidine?
The canonical SMILES for 2-chloro-4-methoxy-5-methylpyrimidine is COc1nc(Cl)ncc1C.
What is the InChIKey of 2-chloro-4-methoxy-5-methylpyrimidine?
The InChIKey is RCJNDDNXUYCUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-4-3-8-6(7)9-5(4)10-2/h3H,1-2H3.
What are the key properties of 2-chloro-4-methoxy-5-methylpyrimidine?
2-chloro-4-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 2-chloro-4-methoxy-5-methylpyrimidine is sourced from PubChem (CID 11051933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).