4-chloro-6-(3,3-dimethylbutoxy)-2,5-dimethylpyrimidine

C12H19ClN2O — CID 66232023

IUPAC4-chloro-6-(3,3-dimethylbutoxy)-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(OCCC(C)(C)C)n1
InChIInChI=1S/C12H19ClN2O/c1-8-10(13)14-9(2)15-11(8)16-7-6-12(3,4)5/h6-7H2,1-5H3
InChIKeyVYOCLZBPFPNHDF-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.56
Rot. Bonds3

About 4-chloro-6-(3,3-dimethylbutoxy)-2,5-dimethylpyrimidine

4-chloro-6-(3,3-dimethylbutoxy)-2,5-dimethylpyrimidine (PubChem CID 66232023) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 4-chloro-6-(3,3-dimethylbutoxy)-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,3-dimethylbutoxy)-2,5-dimethylpyrimidine
PubChem CID66232023
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name4-chloro-6-(3,3-dimethylbutoxy)-2,5-dimethylpyrimidine
SMILESCc1nc(Cl)c(C)c(OCCC(C)(C)C)n1
InChIInChI=1S/C12H19ClN2O/c1-8-10(13)14-9(2)15-11(8)16-7-6-12(3,4)5/h6-7H2,1-5H3
InChIKeyVYOCLZBPFPNHDF-UHFFFAOYSA-N
XLogP3.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,3-dimethylbutoxy)-2,5-dimethylpyrimidine?
The IUPAC name of 4-chloro-6-(3,3-dimethylbutoxy)-2,5-dimethylpyrimidine (CID 66232023) is 4-chloro-6-(3,3-dimethylbutoxy)-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3,3-dimethylbutoxy)-2,5-dimethylpyrimidine?
The canonical SMILES for 4-chloro-6-(3,3-dimethylbutoxy)-2,5-dimethylpyrimidine is Cc1nc(Cl)c(C)c(OCCC(C)(C)C)n1.
What is the InChIKey of 4-chloro-6-(3,3-dimethylbutoxy)-2,5-dimethylpyrimidine?
The InChIKey is VYOCLZBPFPNHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-8-10(13)14-9(2)15-11(8)16-7-6-12(3,4)5/h6-7H2,1-5H3.
What are the key properties of 4-chloro-6-(3,3-dimethylbutoxy)-2,5-dimethylpyrimidine?
4-chloro-6-(3,3-dimethylbutoxy)-2,5-dimethylpyrimidine has a molecular weight of 242.75 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,3-dimethylbutoxy)-2,5-dimethylpyrimidine is sourced from PubChem (CID 66232023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).