4-chloro-6-(3,5-dimethylphenoxy)pyrimidine

C12H11ClN2O — CID 22425300

IUPAC4-chloro-6-(3,5-dimethylphenoxy)pyrimidine
SMILESCc1cc(C)cc(Oc2cc(Cl)ncn2)c1
InChIInChI=1S/C12H11ClN2O/c1-8-3-9(2)5-10(4-8)16-12-6-11(13)14-7-15-12/h3-7H,1-2H3
InChIKeyRDZIOBLFYFTNSM-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.54
Rot. Bonds2

About 4-chloro-6-(3,5-dimethylphenoxy)pyrimidine

4-chloro-6-(3,5-dimethylphenoxy)pyrimidine (PubChem CID 22425300) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dimethylphenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dimethylphenoxy)pyrimidine
PubChem CID22425300
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name4-chloro-6-(3,5-dimethylphenoxy)pyrimidine
SMILESCc1cc(C)cc(Oc2cc(Cl)ncn2)c1
InChIInChI=1S/C12H11ClN2O/c1-8-3-9(2)5-10(4-8)16-12-6-11(13)14-7-15-12/h3-7H,1-2H3
InChIKeyRDZIOBLFYFTNSM-UHFFFAOYSA-N
XLogP3.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dimethylphenoxy)pyrimidine?
The IUPAC name of 4-chloro-6-(3,5-dimethylphenoxy)pyrimidine (CID 22425300) is 4-chloro-6-(3,5-dimethylphenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-6-(3,5-dimethylphenoxy)pyrimidine?
The canonical SMILES for 4-chloro-6-(3,5-dimethylphenoxy)pyrimidine is Cc1cc(C)cc(Oc2cc(Cl)ncn2)c1.
What is the InChIKey of 4-chloro-6-(3,5-dimethylphenoxy)pyrimidine?
The InChIKey is RDZIOBLFYFTNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-3-9(2)5-10(4-8)16-12-6-11(13)14-7-15-12/h3-7H,1-2H3.
What are the key properties of 4-chloro-6-(3,5-dimethylphenoxy)pyrimidine?
4-chloro-6-(3,5-dimethylphenoxy)pyrimidine has a molecular weight of 234.69 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-dimethylphenoxy)pyrimidine is sourced from PubChem (CID 22425300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).