5-methoxy-2-methylpyrimidine-4-carbonyl chloride

C7H7ClN2O2 — CID 119084988

IUPAC5-methoxy-2-methylpyrimidine-4-carbonyl chloride
SMILESCOc1cnc(C)nc1C(=O)Cl
InChIInChI=1S/C7H7ClN2O2/c1-4-9-3-5(12-2)6(10-4)7(8)11/h3H,1-2H3
InChIKeySMOLBDSZKIYYGV-UHFFFAOYSA-N
MW186.60 g/mol
LogP1.17
Rot. Bonds2

About 5-methoxy-2-methylpyrimidine-4-carbonyl chloride

5-methoxy-2-methylpyrimidine-4-carbonyl chloride (PubChem CID 119084988) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 5-methoxy-2-methylpyrimidine-4-carbonyl chloride.

Molecular Properties

Compound Name5-methoxy-2-methylpyrimidine-4-carbonyl chloride
PubChem CID119084988
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name5-methoxy-2-methylpyrimidine-4-carbonyl chloride
SMILESCOc1cnc(C)nc1C(=O)Cl
InChIInChI=1S/C7H7ClN2O2/c1-4-9-3-5(12-2)6(10-4)7(8)11/h3H,1-2H3
InChIKeySMOLBDSZKIYYGV-UHFFFAOYSA-N
XLogP1.17
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-methoxy-2-methylpyrimidine-4-carbonyl chloride?
The IUPAC name of 5-methoxy-2-methylpyrimidine-4-carbonyl chloride (CID 119084988) is 5-methoxy-2-methylpyrimidine-4-carbonyl chloride.
What is the SMILES notation for 5-methoxy-2-methylpyrimidine-4-carbonyl chloride?
The canonical SMILES for 5-methoxy-2-methylpyrimidine-4-carbonyl chloride is COc1cnc(C)nc1C(=O)Cl.
What is the InChIKey of 5-methoxy-2-methylpyrimidine-4-carbonyl chloride?
The InChIKey is SMOLBDSZKIYYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-4-9-3-5(12-2)6(10-4)7(8)11/h3H,1-2H3.
What are the key properties of 5-methoxy-2-methylpyrimidine-4-carbonyl chloride?
5-methoxy-2-methylpyrimidine-4-carbonyl chloride has a molecular weight of 186.60 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methylpyrimidine-4-carbonyl chloride is sourced from PubChem (CID 119084988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).