(4-ethyl-6-methylpyrimidin-5-yl) acetate

C9H12N2O2 — CID 174493857

IUPAC(4-ethyl-6-methylpyrimidin-5-yl) acetate
SMILESCCc1ncnc(C)c1OC(C)=O
InChIInChI=1S/C9H12N2O2/c1-4-8-9(13-7(3)12)6(2)10-5-11-8/h5H,4H2,1-3H3
InChIKeyDKHXUXBOVNOHKF-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.27
Rot. Bonds2

About (4-ethyl-6-methylpyrimidin-5-yl) acetate

(4-ethyl-6-methylpyrimidin-5-yl) acetate (PubChem CID 174493857) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (4-ethyl-6-methylpyrimidin-5-yl) acetate.

Molecular Properties

Compound Name(4-ethyl-6-methylpyrimidin-5-yl) acetate
PubChem CID174493857
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(4-ethyl-6-methylpyrimidin-5-yl) acetate
SMILESCCc1ncnc(C)c1OC(C)=O
InChIInChI=1S/C9H12N2O2/c1-4-8-9(13-7(3)12)6(2)10-5-11-8/h5H,4H2,1-3H3
InChIKeyDKHXUXBOVNOHKF-UHFFFAOYSA-N
XLogP1.27
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-6-methylpyrimidin-5-yl) acetate?
The IUPAC name of (4-ethyl-6-methylpyrimidin-5-yl) acetate (CID 174493857) is (4-ethyl-6-methylpyrimidin-5-yl) acetate.
What is the SMILES notation for (4-ethyl-6-methylpyrimidin-5-yl) acetate?
The canonical SMILES for (4-ethyl-6-methylpyrimidin-5-yl) acetate is CCc1ncnc(C)c1OC(C)=O.
What is the InChIKey of (4-ethyl-6-methylpyrimidin-5-yl) acetate?
The InChIKey is DKHXUXBOVNOHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-4-8-9(13-7(3)12)6(2)10-5-11-8/h5H,4H2,1-3H3.
What are the key properties of (4-ethyl-6-methylpyrimidin-5-yl) acetate?
(4-ethyl-6-methylpyrimidin-5-yl) acetate has a molecular weight of 180.21 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-6-methylpyrimidin-5-yl) acetate is sourced from PubChem (CID 174493857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).