2-methylbutan-2-yl 2-(2-prop-1-en-2-ylpyrimidin-5-yl)acetate

C14H20N2O2 — CID 178102988

IUPAC2-methylbutan-2-yl 2-(2-prop-1-en-2-ylpyrimidin-5-yl)acetate
SMILESC=C(C)c1ncc(CC(=O)OC(C)(C)CC)cn1
InChIInChI=1S/C14H20N2O2/c1-6-14(4,5)18-12(17)7-11-8-15-13(10(2)3)16-9-11/h8-9H,2,6-7H2,1,3-5H3
InChIKeyVOVRYQNXDMJSPD-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.78
Rot. Bonds5

About 2-methylbutan-2-yl 2-(2-prop-1-en-2-ylpyrimidin-5-yl)acetate

2-methylbutan-2-yl 2-(2-prop-1-en-2-ylpyrimidin-5-yl)acetate (PubChem CID 178102988) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-methylbutan-2-yl 2-(2-prop-1-en-2-ylpyrimidin-5-yl)acetate.

Molecular Properties

Compound Name2-methylbutan-2-yl 2-(2-prop-1-en-2-ylpyrimidin-5-yl)acetate
PubChem CID178102988
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-methylbutan-2-yl 2-(2-prop-1-en-2-ylpyrimidin-5-yl)acetate
SMILESC=C(C)c1ncc(CC(=O)OC(C)(C)CC)cn1
InChIInChI=1S/C14H20N2O2/c1-6-14(4,5)18-12(17)7-11-8-15-13(10(2)3)16-9-11/h8-9H,2,6-7H2,1,3-5H3
InChIKeyVOVRYQNXDMJSPD-UHFFFAOYSA-N
XLogP2.78
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 2-(2-prop-1-en-2-ylpyrimidin-5-yl)acetate?
The IUPAC name of 2-methylbutan-2-yl 2-(2-prop-1-en-2-ylpyrimidin-5-yl)acetate (CID 178102988) is 2-methylbutan-2-yl 2-(2-prop-1-en-2-ylpyrimidin-5-yl)acetate.
What is the SMILES notation for 2-methylbutan-2-yl 2-(2-prop-1-en-2-ylpyrimidin-5-yl)acetate?
The canonical SMILES for 2-methylbutan-2-yl 2-(2-prop-1-en-2-ylpyrimidin-5-yl)acetate is C=C(C)c1ncc(CC(=O)OC(C)(C)CC)cn1.
What is the InChIKey of 2-methylbutan-2-yl 2-(2-prop-1-en-2-ylpyrimidin-5-yl)acetate?
The InChIKey is VOVRYQNXDMJSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-6-14(4,5)18-12(17)7-11-8-15-13(10(2)3)16-9-11/h8-9H,2,6-7H2,1,3-5H3.
What are the key properties of 2-methylbutan-2-yl 2-(2-prop-1-en-2-ylpyrimidin-5-yl)acetate?
2-methylbutan-2-yl 2-(2-prop-1-en-2-ylpyrimidin-5-yl)acetate has a molecular weight of 248.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 2-(2-prop-1-en-2-ylpyrimidin-5-yl)acetate is sourced from PubChem (CID 178102988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).