2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl acetate

C10H13ClN2O3 — CID 46885141

IUPAC2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl acetate
SMILESCOc1nc(Cl)nc(C)c1CCOC(C)=O
InChIInChI=1S/C10H13ClN2O3/c1-6-8(4-5-16-7(2)14)9(15-3)13-10(11)12-6/h4-5H2,1-3H3
InChIKeyUUPXDDVXYBDFNZ-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.55
Rot. Bonds4

About 2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl acetate

2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl acetate (PubChem CID 46885141) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl acetate
PubChem CID46885141
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl acetate
SMILESCOc1nc(Cl)nc(C)c1CCOC(C)=O
InChIInChI=1S/C10H13ClN2O3/c1-6-8(4-5-16-7(2)14)9(15-3)13-10(11)12-6/h4-5H2,1-3H3
InChIKeyUUPXDDVXYBDFNZ-UHFFFAOYSA-N
XLogP1.55
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl acetate?
The IUPAC name of 2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl acetate (CID 46885141) is 2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl acetate.
What is the SMILES notation for 2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl acetate?
The canonical SMILES for 2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl acetate is COc1nc(Cl)nc(C)c1CCOC(C)=O.
What is the InChIKey of 2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl acetate?
The InChIKey is UUPXDDVXYBDFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c1-6-8(4-5-16-7(2)14)9(15-3)13-10(11)12-6/h4-5H2,1-3H3.
What are the key properties of 2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl acetate?
2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl acetate has a molecular weight of 244.68 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxy-6-methylpyrimidin-5-yl)ethyl acetate is sourced from PubChem (CID 46885141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).