2-(3-chloro-2-methylphenoxy)-4,6-dimethoxypyrimidine

C13H13ClN2O3 — CID 902199

IUPAC2-(3-chloro-2-methylphenoxy)-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(Oc2cccc(Cl)c2C)n1
InChIInChI=1S/C13H13ClN2O3/c1-8-9(14)5-4-6-10(8)19-13-15-11(17-2)7-12(16-13)18-3/h4-7H,1-3H3
InChIKeyCSMKBVBXCNXNJE-UHFFFAOYSA-N
MW280.71 g/mol
LogP3.25
Rot. Bonds4

About 2-(3-chloro-2-methylphenoxy)-4,6-dimethoxypyrimidine

2-(3-chloro-2-methylphenoxy)-4,6-dimethoxypyrimidine (PubChem CID 902199) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-(3-chloro-2-methylphenoxy)-4,6-dimethoxypyrimidine.

Molecular Properties

Compound Name2-(3-chloro-2-methylphenoxy)-4,6-dimethoxypyrimidine
PubChem CID902199
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name2-(3-chloro-2-methylphenoxy)-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(Oc2cccc(Cl)c2C)n1
InChIInChI=1S/C13H13ClN2O3/c1-8-9(14)5-4-6-10(8)19-13-15-11(17-2)7-12(16-13)18-3/h4-7H,1-3H3
InChIKeyCSMKBVBXCNXNJE-UHFFFAOYSA-N
XLogP3.25
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylphenoxy)-4,6-dimethoxypyrimidine?
The IUPAC name of 2-(3-chloro-2-methylphenoxy)-4,6-dimethoxypyrimidine (CID 902199) is 2-(3-chloro-2-methylphenoxy)-4,6-dimethoxypyrimidine.
What is the SMILES notation for 2-(3-chloro-2-methylphenoxy)-4,6-dimethoxypyrimidine?
The canonical SMILES for 2-(3-chloro-2-methylphenoxy)-4,6-dimethoxypyrimidine is COc1cc(OC)nc(Oc2cccc(Cl)c2C)n1.
What is the InChIKey of 2-(3-chloro-2-methylphenoxy)-4,6-dimethoxypyrimidine?
The InChIKey is CSMKBVBXCNXNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-8-9(14)5-4-6-10(8)19-13-15-11(17-2)7-12(16-13)18-3/h4-7H,1-3H3.
What are the key properties of 2-(3-chloro-2-methylphenoxy)-4,6-dimethoxypyrimidine?
2-(3-chloro-2-methylphenoxy)-4,6-dimethoxypyrimidine has a molecular weight of 280.71 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylphenoxy)-4,6-dimethoxypyrimidine is sourced from PubChem (CID 902199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).