2-[4,6-dimethyl-2-oxo-1-[1-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid

C15H22N2O4 — CID 62097082

IUPAC2-[4,6-dimethyl-2-oxo-1-[1-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid
SMILESCc1nc(=O)n(C(C)C2CCCO2)c(C)c1C(C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-8(14(18)19)13-9(2)16-15(20)17(11(13)4)10(3)12-6-5-7-21-12/h8,10,12H,5-7H2,1-4H3,(H,18,19)
InChIKeyBZRBDZQBOVDMKY-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.79
Rot. Bonds4

About 2-[4,6-dimethyl-2-oxo-1-[1-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid

2-[4,6-dimethyl-2-oxo-1-[1-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid (PubChem CID 62097082) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-oxo-1-[1-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-oxo-1-[1-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid
PubChem CID62097082
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[4,6-dimethyl-2-oxo-1-[1-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid
SMILESCc1nc(=O)n(C(C)C2CCCO2)c(C)c1C(C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-8(14(18)19)13-9(2)16-15(20)17(11(13)4)10(3)12-6-5-7-21-12/h8,10,12H,5-7H2,1-4H3,(H,18,19)
InChIKeyBZRBDZQBOVDMKY-UHFFFAOYSA-N
XLogP1.79
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-oxo-1-[1-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid?
The IUPAC name of 2-[4,6-dimethyl-2-oxo-1-[1-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid (CID 62097082) is 2-[4,6-dimethyl-2-oxo-1-[1-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 2-[4,6-dimethyl-2-oxo-1-[1-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid?
The canonical SMILES for 2-[4,6-dimethyl-2-oxo-1-[1-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid is Cc1nc(=O)n(C(C)C2CCCO2)c(C)c1C(C)C(=O)O.
What is the InChIKey of 2-[4,6-dimethyl-2-oxo-1-[1-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid?
The InChIKey is BZRBDZQBOVDMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-8(14(18)19)13-9(2)16-15(20)17(11(13)4)10(3)12-6-5-7-21-12/h8,10,12H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 2-[4,6-dimethyl-2-oxo-1-[1-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid?
2-[4,6-dimethyl-2-oxo-1-[1-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-oxo-1-[1-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 62097082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).