4-chloro-2-methyl-6-prop-2-enoxypyrimidine

C8H9ClN2O — CID 62482106

IUPAC4-chloro-2-methyl-6-prop-2-enoxypyrimidine
SMILESC=CCOc1cc(Cl)nc(C)n1
InChIInChI=1S/C8H9ClN2O/c1-3-4-12-8-5-7(9)10-6(2)11-8/h3,5H,1,4H2,2H3
InChIKeyHZILFHCHBNZFIN-UHFFFAOYSA-N
MW184.63 g/mol
LogP2.00
Rot. Bonds3

About 4-chloro-2-methyl-6-prop-2-enoxypyrimidine

4-chloro-2-methyl-6-prop-2-enoxypyrimidine (PubChem CID 62482106) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-prop-2-enoxypyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-prop-2-enoxypyrimidine
PubChem CID62482106
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name4-chloro-2-methyl-6-prop-2-enoxypyrimidine
SMILESC=CCOc1cc(Cl)nc(C)n1
InChIInChI=1S/C8H9ClN2O/c1-3-4-12-8-5-7(9)10-6(2)11-8/h3,5H,1,4H2,2H3
InChIKeyHZILFHCHBNZFIN-UHFFFAOYSA-N
XLogP2.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-prop-2-enoxypyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-prop-2-enoxypyrimidine (CID 62482106) is 4-chloro-2-methyl-6-prop-2-enoxypyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-prop-2-enoxypyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-prop-2-enoxypyrimidine is C=CCOc1cc(Cl)nc(C)n1.
What is the InChIKey of 4-chloro-2-methyl-6-prop-2-enoxypyrimidine?
The InChIKey is HZILFHCHBNZFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-3-4-12-8-5-7(9)10-6(2)11-8/h3,5H,1,4H2,2H3.
What are the key properties of 4-chloro-2-methyl-6-prop-2-enoxypyrimidine?
4-chloro-2-methyl-6-prop-2-enoxypyrimidine has a molecular weight of 184.63 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-prop-2-enoxypyrimidine is sourced from PubChem (CID 62482106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).