tert-butyl 2-methyl-2-(6-propan-2-ylpyrimidin-4-yl)propanoate

C15H24N2O2 — CID 130285142

IUPACtert-butyl 2-methyl-2-(6-propan-2-ylpyrimidin-4-yl)propanoate
SMILESCC(C)c1cc(C(C)(C)C(=O)OC(C)(C)C)ncn1
InChIInChI=1S/C15H24N2O2/c1-10(2)11-8-12(17-9-16-11)15(6,7)13(18)19-14(3,4)5/h8-10H,1-7H3
InChIKeyKQOOGPNHAZZTQG-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.22
Rot. Bonds3

About tert-butyl 2-methyl-2-(6-propan-2-ylpyrimidin-4-yl)propanoate

tert-butyl 2-methyl-2-(6-propan-2-ylpyrimidin-4-yl)propanoate (PubChem CID 130285142) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl 2-methyl-2-(6-propan-2-ylpyrimidin-4-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 2-methyl-2-(6-propan-2-ylpyrimidin-4-yl)propanoate
PubChem CID130285142
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl 2-methyl-2-(6-propan-2-ylpyrimidin-4-yl)propanoate
SMILESCC(C)c1cc(C(C)(C)C(=O)OC(C)(C)C)ncn1
InChIInChI=1S/C15H24N2O2/c1-10(2)11-8-12(17-9-16-11)15(6,7)13(18)19-14(3,4)5/h8-10H,1-7H3
InChIKeyKQOOGPNHAZZTQG-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-2-(6-propan-2-ylpyrimidin-4-yl)propanoate?
The IUPAC name of tert-butyl 2-methyl-2-(6-propan-2-ylpyrimidin-4-yl)propanoate (CID 130285142) is tert-butyl 2-methyl-2-(6-propan-2-ylpyrimidin-4-yl)propanoate.
What is the SMILES notation for tert-butyl 2-methyl-2-(6-propan-2-ylpyrimidin-4-yl)propanoate?
The canonical SMILES for tert-butyl 2-methyl-2-(6-propan-2-ylpyrimidin-4-yl)propanoate is CC(C)c1cc(C(C)(C)C(=O)OC(C)(C)C)ncn1.
What is the InChIKey of tert-butyl 2-methyl-2-(6-propan-2-ylpyrimidin-4-yl)propanoate?
The InChIKey is KQOOGPNHAZZTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)11-8-12(17-9-16-11)15(6,7)13(18)19-14(3,4)5/h8-10H,1-7H3.
What are the key properties of tert-butyl 2-methyl-2-(6-propan-2-ylpyrimidin-4-yl)propanoate?
tert-butyl 2-methyl-2-(6-propan-2-ylpyrimidin-4-yl)propanoate has a molecular weight of 264.37 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-2-(6-propan-2-ylpyrimidin-4-yl)propanoate is sourced from PubChem (CID 130285142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).