4-chloro-6-(3-methoxy-3-methylbutoxy)-2,5-dimethylpyrimidine

C12H19ClN2O2 — CID 106665556

IUPAC4-chloro-6-(3-methoxy-3-methylbutoxy)-2,5-dimethylpyrimidine
SMILESCOC(C)(C)CCOc1nc(C)nc(Cl)c1C
InChIInChI=1S/C12H19ClN2O2/c1-8-10(13)14-9(2)15-11(8)17-7-6-12(3,4)16-5/h6-7H2,1-5H3
InChIKeyYLKUEOIENZEOOH-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.94
Rot. Bonds5

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

4-chloro-6-(3-methoxy-3-methylbutoxy)-2,5-dimethylpyrimidine (PubChem CID 106665556) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-chloro-6-(3-methoxy-3-methylbutoxy)-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-methoxy-3-methylbutoxy)-2,5-dimethylpyrimidine
PubChem CID106665556
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name4-chloro-6-(3-methoxy-3-methylbutoxy)-2,5-dimethylpyrimidine
SMILESCOC(C)(C)CCOc1nc(C)nc(Cl)c1C
InChIInChI=1S/C12H19ClN2O2/c1-8-10(13)14-9(2)15-11(8)17-7-6-12(3,4)16-5/h6-7H2,1-5H3
InChIKeyYLKUEOIENZEOOH-UHFFFAOYSA-N
XLogP2.94
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-methoxy-3-methylbutoxy)-2,5-dimethylpyrimidine?
The IUPAC name of 4-chloro-6-(3-methoxy-3-methylbutoxy)-2,5-dimethylpyrimidine (CID 106665556) is 4-chloro-6-(3-methoxy-3-methylbutoxy)-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-methoxy-3-methylbutoxy)-2,5-dimethylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-methoxy-3-methylbutoxy)-2,5-dimethylpyrimidine is COC(C)(C)CCOc1nc(C)nc(Cl)c1C.
What is the InChIKey of 4-chloro-6-(3-methoxy-3-methylbutoxy)-2,5-dimethylpyrimidine?
The InChIKey is YLKUEOIENZEOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2/c1-8-10(13)14-9(2)15-11(8)17-7-6-12(3,4)16-5/h6-7H2,1-5H3.
What are the key properties of 4-chloro-6-(3-methoxy-3-methylbutoxy)-2,5-dimethylpyrimidine?
4-chloro-6-(3-methoxy-3-methylbutoxy)-2,5-dimethylpyrimidine has a molecular weight of 258.75 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-methoxy-3-methylbutoxy)-2,5-dimethylpyrimidine is sourced from PubChem (CID 106665556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).