(4-chloro-2,6-dimethylpyrimidin-5-yl) acetate

C8H9ClN2O2 — CID 18975609

IUPAC(4-chloro-2,6-dimethylpyrimidin-5-yl) acetate
SMILESCC(=O)Oc1c(C)nc(C)nc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-4-7(13-6(3)12)8(9)11-5(2)10-4/h1-3H3
InChIKeyADZBATKRSSRNLM-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.67
Rot. Bonds1

About (4-chloro-2,6-dimethylpyrimidin-5-yl) acetate

(4-chloro-2,6-dimethylpyrimidin-5-yl) acetate (PubChem CID 18975609) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is (4-chloro-2,6-dimethylpyrimidin-5-yl) acetate.

Molecular Properties

Compound Name(4-chloro-2,6-dimethylpyrimidin-5-yl) acetate
PubChem CID18975609
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name(4-chloro-2,6-dimethylpyrimidin-5-yl) acetate
SMILESCC(=O)Oc1c(C)nc(C)nc1Cl
InChIInChI=1S/C8H9ClN2O2/c1-4-7(13-6(3)12)8(9)11-5(2)10-4/h1-3H3
InChIKeyADZBATKRSSRNLM-UHFFFAOYSA-N
XLogP1.67
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,6-dimethylpyrimidin-5-yl) acetate?
The IUPAC name of (4-chloro-2,6-dimethylpyrimidin-5-yl) acetate (CID 18975609) is (4-chloro-2,6-dimethylpyrimidin-5-yl) acetate.
What is the SMILES notation for (4-chloro-2,6-dimethylpyrimidin-5-yl) acetate?
The canonical SMILES for (4-chloro-2,6-dimethylpyrimidin-5-yl) acetate is CC(=O)Oc1c(C)nc(C)nc1Cl.
What is the InChIKey of (4-chloro-2,6-dimethylpyrimidin-5-yl) acetate?
The InChIKey is ADZBATKRSSRNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O2/c1-4-7(13-6(3)12)8(9)11-5(2)10-4/h1-3H3.
What are the key properties of (4-chloro-2,6-dimethylpyrimidin-5-yl) acetate?
(4-chloro-2,6-dimethylpyrimidin-5-yl) acetate has a molecular weight of 200.62 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,6-dimethylpyrimidin-5-yl) acetate is sourced from PubChem (CID 18975609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).