4-(chloromethyl)-6-methoxypyrimidine

C6H7ClN2O — CID 13123558

IUPAC4-(chloromethyl)-6-methoxypyrimidine
SMILESCOc1cc(CCl)ncn1
InChIInChI=1S/C6H7ClN2O/c1-10-6-2-5(3-7)8-4-9-6/h2,4H,3H2,1H3
InChIKeyLWGSLEPVHWXNOF-UHFFFAOYSA-N
MW158.59 g/mol
LogP1.22
Rot. Bonds2

About 4-(chloromethyl)-6-methoxypyrimidine

4-(chloromethyl)-6-methoxypyrimidine (PubChem CID 13123558) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 4-(chloromethyl)-6-methoxypyrimidine.

Molecular Properties

Compound Name4-(chloromethyl)-6-methoxypyrimidine
PubChem CID13123558
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name4-(chloromethyl)-6-methoxypyrimidine
SMILESCOc1cc(CCl)ncn1
InChIInChI=1S/C6H7ClN2O/c1-10-6-2-5(3-7)8-4-9-6/h2,4H,3H2,1H3
InChIKeyLWGSLEPVHWXNOF-UHFFFAOYSA-N
XLogP1.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-6-methoxypyrimidine?
The IUPAC name of 4-(chloromethyl)-6-methoxypyrimidine (CID 13123558) is 4-(chloromethyl)-6-methoxypyrimidine.
What is the SMILES notation for 4-(chloromethyl)-6-methoxypyrimidine?
The canonical SMILES for 4-(chloromethyl)-6-methoxypyrimidine is COc1cc(CCl)ncn1.
What is the InChIKey of 4-(chloromethyl)-6-methoxypyrimidine?
The InChIKey is LWGSLEPVHWXNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-10-6-2-5(3-7)8-4-9-6/h2,4H,3H2,1H3.
What are the key properties of 4-(chloromethyl)-6-methoxypyrimidine?
4-(chloromethyl)-6-methoxypyrimidine has a molecular weight of 158.59 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-6-methoxypyrimidine is sourced from PubChem (CID 13123558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).