tert-butyl 3-(5-tert-butylpyrimidin-2-yl)propanoate

C15H24N2O2 — CID 158312232

IUPACtert-butyl 3-(5-tert-butylpyrimidin-2-yl)propanoate
SMILESCC(C)(C)OC(=O)CCc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C15H24N2O2/c1-14(2,3)11-9-16-12(17-10-11)7-8-13(18)19-15(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyTUAFJQYCIQHNMT-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.05
Rot. Bonds3

About tert-butyl 3-(5-tert-butylpyrimidin-2-yl)propanoate

tert-butyl 3-(5-tert-butylpyrimidin-2-yl)propanoate (PubChem CID 158312232) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl 3-(5-tert-butylpyrimidin-2-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(5-tert-butylpyrimidin-2-yl)propanoate
PubChem CID158312232
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl 3-(5-tert-butylpyrimidin-2-yl)propanoate
SMILESCC(C)(C)OC(=O)CCc1ncc(C(C)(C)C)cn1
InChIInChI=1S/C15H24N2O2/c1-14(2,3)11-9-16-12(17-10-11)7-8-13(18)19-15(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyTUAFJQYCIQHNMT-UHFFFAOYSA-N
XLogP3.05
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(5-hydroxypyrimidin-2-yl)acetate
CID 133062944
tert-butyl 3-(5-bromo-2-pyridinyl)propanoate
CID 134284473
tert-butyl 2-(5-fluoropyrimidin-2-yl)acetate
CID 121231620
1-(5-tert-butylpyrimidin-2-yl)propan-2-one
CID 165372273
ditert-butyl pentanedioate
CID 3016405
tert-butyl 4-(4-tert-butylphenyl)-4-oxobutanoate
CID 172638936
tert-butyl 4-(2-methylpyrimidin-5-yl)oxybutanoate;ethane
CID 170714957
trifluoro-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]boranuide
CID 167741397
2-(5-tert-butylpyrimidin-2-yl)-N-methoxyacetamide
CID 88917931
tert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate
CID 101184146
tert-butyl 3-(pyrimidin-2-ylamino)propanoate
CID 141113338
tert-butyl 4-oxo-4-pyrimidin-5-ylbutanoate
CID 121449097

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-tert-butylpyrimidin-2-yl)propanoate?
The IUPAC name of tert-butyl 3-(5-tert-butylpyrimidin-2-yl)propanoate (CID 158312232) is tert-butyl 3-(5-tert-butylpyrimidin-2-yl)propanoate.
What is the SMILES notation for tert-butyl 3-(5-tert-butylpyrimidin-2-yl)propanoate?
The canonical SMILES for tert-butyl 3-(5-tert-butylpyrimidin-2-yl)propanoate is CC(C)(C)OC(=O)CCc1ncc(C(C)(C)C)cn1.
What is the InChIKey of tert-butyl 3-(5-tert-butylpyrimidin-2-yl)propanoate?
The InChIKey is TUAFJQYCIQHNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-14(2,3)11-9-16-12(17-10-11)7-8-13(18)19-15(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of tert-butyl 3-(5-tert-butylpyrimidin-2-yl)propanoate?
tert-butyl 3-(5-tert-butylpyrimidin-2-yl)propanoate has a molecular weight of 264.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-tert-butylpyrimidin-2-yl)propanoate is sourced from PubChem (CID 158312232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).