2-(4,6-dimethyl-2-oxo-1-propan-2-ylpyrimidin-5-yl)acetic acid

C11H16N2O3 — CID 43145179

IUPAC2-(4,6-dimethyl-2-oxo-1-propan-2-ylpyrimidin-5-yl)acetic acid
SMILESCc1nc(=O)n(C(C)C)c(C)c1CC(=O)O
InChIInChI=1S/C11H16N2O3/c1-6(2)13-8(4)9(5-10(14)15)7(3)12-11(13)16/h6H,5H2,1-4H3,(H,14,15)
InChIKeyCECRQDBYKRBOQT-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.07
Rot. Bonds3

About 2-(4,6-dimethyl-2-oxo-1-propan-2-ylpyrimidin-5-yl)acetic acid

2-(4,6-dimethyl-2-oxo-1-propan-2-ylpyrimidin-5-yl)acetic acid (PubChem CID 43145179) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(4,6-dimethyl-2-oxo-1-propan-2-ylpyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4,6-dimethyl-2-oxo-1-propan-2-ylpyrimidin-5-yl)acetic acid
PubChem CID43145179
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(4,6-dimethyl-2-oxo-1-propan-2-ylpyrimidin-5-yl)acetic acid
SMILESCc1nc(=O)n(C(C)C)c(C)c1CC(=O)O
InChIInChI=1S/C11H16N2O3/c1-6(2)13-8(4)9(5-10(14)15)7(3)12-11(13)16/h6H,5H2,1-4H3,(H,14,15)
InChIKeyCECRQDBYKRBOQT-UHFFFAOYSA-N
XLogP1.07
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4,6-Dimethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
CID 43145190
3-[4,6-Dimethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid
CID 43327715
2-[4,6-Dimethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid
CID 62097253
2-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid
CID 63227242
2-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]propanoic acid
CID 63227243
2-[4,6-Diethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]acetic acid
CID 79218419
2-[4,6-Diethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]acetic acid
CID 79219323
2-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutan-2-yl)pyrimidin-5-yl]propanoic acid
CID 105933296
3-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutan-2-yl)pyrimidin-5-yl]propanoic acid
CID 105933297
2-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutan-2-yl)pyrimidin-5-yl]acetic acid
CID 105933301
2-[4,6-Dimethyl-2-oxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidin-5-yl]propanoic acid
CID 106295254
2-[4,6-Dimethyl-2-oxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidin-5-yl]acetic acid
CID 106295256

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-2-oxo-1-propan-2-ylpyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(4,6-dimethyl-2-oxo-1-propan-2-ylpyrimidin-5-yl)acetic acid (CID 43145179) is 2-(4,6-dimethyl-2-oxo-1-propan-2-ylpyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(4,6-dimethyl-2-oxo-1-propan-2-ylpyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(4,6-dimethyl-2-oxo-1-propan-2-ylpyrimidin-5-yl)acetic acid is Cc1nc(=O)n(C(C)C)c(C)c1CC(=O)O.
What is the InChIKey of 2-(4,6-dimethyl-2-oxo-1-propan-2-ylpyrimidin-5-yl)acetic acid?
The InChIKey is CECRQDBYKRBOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6(2)13-8(4)9(5-10(14)15)7(3)12-11(13)16/h6H,5H2,1-4H3,(H,14,15).
What are the key properties of 2-(4,6-dimethyl-2-oxo-1-propan-2-ylpyrimidin-5-yl)acetic acid?
2-(4,6-dimethyl-2-oxo-1-propan-2-ylpyrimidin-5-yl)acetic acid has a molecular weight of 224.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-2-oxo-1-propan-2-ylpyrimidin-5-yl)acetic acid is sourced from PubChem (CID 43145179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).