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

C15H22N2O4 — CID 62097259

IUPAC2-[4,6-dimethyl-2-oxo-1-[2-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid
SMILESCc1nc(=O)n(CCC2CCCO2)c(C)c1C(C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-9(14(18)19)13-10(2)16-15(20)17(11(13)3)7-6-12-5-4-8-21-12/h9,12H,4-8H2,1-3H3,(H,18,19)
InChIKeyXYPHWEPIUDVMGZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.62
Rot. Bonds5

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

2-[4,6-dimethyl-2-oxo-1-[2-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid (PubChem CID 62097259) 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-[2-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-oxo-1-[2-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid
PubChem CID62097259
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[4,6-dimethyl-2-oxo-1-[2-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid
SMILESCc1nc(=O)n(CCC2CCCO2)c(C)c1C(C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-9(14(18)19)13-10(2)16-15(20)17(11(13)3)7-6-12-5-4-8-21-12/h9,12H,4-8H2,1-3H3,(H,18,19)
InChIKeyXYPHWEPIUDVMGZ-UHFFFAOYSA-N
XLogP1.62
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4,6-dimethyl-2-oxo-1-[1-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid
CID 62097082
2-[4,6-dimethyl-2-oxo-1-(4,4,4-trifluorobutyl)pyrimidin-5-yl]propanoic acid
CID 115521541
1-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]propan-1-ol
CID 65165219
2-[2-(oxolan-2-yl)ethylsulfonyl]propanoic acid
CID 65161065
2,5-dimethyl-1-[2-(oxan-2-yl)ethyl]pyrrole-3-carboxylic acid
CID 114135752
2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid
CID 81008948
2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid
CID 115543363
2-(4,6-dimethyl-2-oxo-1-phenylpyrimidin-5-yl)propanoic acid
CID 62095350
2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid
CID 79421580
2,3-dimethyl-1-[2-(oxolan-2-yl)ethyl]indole-5-carboxylic acid
CID 65162686
4-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-one
CID 105107024
4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid
CID 65162425

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-oxo-1-[2-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid?
The IUPAC name of 2-[4,6-dimethyl-2-oxo-1-[2-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid (CID 62097259) is 2-[4,6-dimethyl-2-oxo-1-[2-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 2-[4,6-dimethyl-2-oxo-1-[2-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid?
The canonical SMILES for 2-[4,6-dimethyl-2-oxo-1-[2-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid is Cc1nc(=O)n(CCC2CCCO2)c(C)c1C(C)C(=O)O.
What is the InChIKey of 2-[4,6-dimethyl-2-oxo-1-[2-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid?
The InChIKey is XYPHWEPIUDVMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-9(14(18)19)13-10(2)16-15(20)17(11(13)3)7-6-12-5-4-8-21-12/h9,12H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 2-[4,6-dimethyl-2-oxo-1-[2-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid?
2-[4,6-dimethyl-2-oxo-1-[2-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.62, 5 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-[2-(oxolan-2-yl)ethyl]pyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 62097259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).