(4-tert-butylpyrimidin-5-yl) acetate

C10H14N2O2 — CID 165372242

IUPAC(4-tert-butylpyrimidin-5-yl) acetate
SMILESCC(=O)Oc1cncnc1C(C)(C)C
InChIInChI=1S/C10H14N2O2/c1-7(13)14-8-5-11-6-12-9(8)10(2,3)4/h5-6H,1-4H3
InChIKeyGGJDDRRFLQVZPD-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.70
Rot. Bonds1

About (4-tert-butylpyrimidin-5-yl) acetate

(4-tert-butylpyrimidin-5-yl) acetate (PubChem CID 165372242) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (4-tert-butylpyrimidin-5-yl) acetate.

Molecular Properties

Compound Name(4-tert-butylpyrimidin-5-yl) acetate
PubChem CID165372242
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(4-tert-butylpyrimidin-5-yl) acetate
SMILESCC(=O)Oc1cncnc1C(C)(C)C
InChIInChI=1S/C10H14N2O2/c1-7(13)14-8-5-11-6-12-9(8)10(2,3)4/h5-6H,1-4H3
InChIKeyGGJDDRRFLQVZPD-UHFFFAOYSA-N
XLogP1.70
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpyrimidin-5-yl) acetate?
The IUPAC name of (4-tert-butylpyrimidin-5-yl) acetate (CID 165372242) is (4-tert-butylpyrimidin-5-yl) acetate.
What is the SMILES notation for (4-tert-butylpyrimidin-5-yl) acetate?
The canonical SMILES for (4-tert-butylpyrimidin-5-yl) acetate is CC(=O)Oc1cncnc1C(C)(C)C.
What is the InChIKey of (4-tert-butylpyrimidin-5-yl) acetate?
The InChIKey is GGJDDRRFLQVZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(13)14-8-5-11-6-12-9(8)10(2,3)4/h5-6H,1-4H3.
What are the key properties of (4-tert-butylpyrimidin-5-yl) acetate?
(4-tert-butylpyrimidin-5-yl) acetate has a molecular weight of 194.23 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpyrimidin-5-yl) acetate is sourced from PubChem (CID 165372242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).