4-chloro-2-ethyl-6-(3-methoxy-3-methylbutoxy)-5-methylpyrimidine

C13H21ClN2O2 — CID 106665587

IUPAC4-chloro-2-ethyl-6-(3-methoxy-3-methylbutoxy)-5-methylpyrimidine
SMILESCCc1nc(Cl)c(C)c(OCCC(C)(C)OC)n1
InChIInChI=1S/C13H21ClN2O2/c1-6-10-15-11(14)9(2)12(16-10)18-8-7-13(3,4)17-5/h6-8H2,1-5H3
InChIKeyXRKLPCJSVJXIKZ-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.19
Rot. Bonds6

About 4-chloro-2-ethyl-6-(3-methoxy-3-methylbutoxy)-5-methylpyrimidine

4-chloro-2-ethyl-6-(3-methoxy-3-methylbutoxy)-5-methylpyrimidine (PubChem CID 106665587) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-(3-methoxy-3-methylbutoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-(3-methoxy-3-methylbutoxy)-5-methylpyrimidine
PubChem CID106665587
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name4-chloro-2-ethyl-6-(3-methoxy-3-methylbutoxy)-5-methylpyrimidine
SMILESCCc1nc(Cl)c(C)c(OCCC(C)(C)OC)n1
InChIInChI=1S/C13H21ClN2O2/c1-6-10-15-11(14)9(2)12(16-10)18-8-7-13(3,4)17-5/h6-8H2,1-5H3
InChIKeyXRKLPCJSVJXIKZ-UHFFFAOYSA-N
XLogP3.19
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(3-methoxy-3-methylbutoxy)-2,5-dimethylpyrimidine
CID 106665556
4-chloro-2-ethyl-6-hexoxy-5-methylpyrimidine
CID 80973551
2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine
CID 106665577
4-chloro-6-(3,3-dimethylbutoxy)-2,5-dimethylpyrimidine
CID 66232023
4-chloro-5-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-propylpyrimidine
CID 112587573
4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine
CID 80972982
4-chloro-2-ethyl-5-methyl-6-(2-methylpentoxy)pyrimidine
CID 103283665
3,5-dichloro-N-ethyl-6-(3-methoxy-3-methylbutoxy)pyridin-2-amine
CID 106669249
2-ethyl-5-methyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
CID 82959205
2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine
CID 106669067
4-chloro-6-(2-methoxyethoxy)-2,5-dimethylpyrimidine
CID 63735529
4-chloro-6-(3,5-dimethylphenoxy)-2-ethyl-5-methylpyrimidine
CID 80973005

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-(3-methoxy-3-methylbutoxy)-5-methylpyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-(3-methoxy-3-methylbutoxy)-5-methylpyrimidine (CID 106665587) is 4-chloro-2-ethyl-6-(3-methoxy-3-methylbutoxy)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-(3-methoxy-3-methylbutoxy)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-(3-methoxy-3-methylbutoxy)-5-methylpyrimidine is CCc1nc(Cl)c(C)c(OCCC(C)(C)OC)n1.
What is the InChIKey of 4-chloro-2-ethyl-6-(3-methoxy-3-methylbutoxy)-5-methylpyrimidine?
The InChIKey is XRKLPCJSVJXIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-6-10-15-11(14)9(2)12(16-10)18-8-7-13(3,4)17-5/h6-8H2,1-5H3.
What are the key properties of 4-chloro-2-ethyl-6-(3-methoxy-3-methylbutoxy)-5-methylpyrimidine?
4-chloro-2-ethyl-6-(3-methoxy-3-methylbutoxy)-5-methylpyrimidine has a molecular weight of 272.78 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-(3-methoxy-3-methylbutoxy)-5-methylpyrimidine is sourced from PubChem (CID 106665587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).