3-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)propanoic acid

C10H14N2O3 — CID 43145176

IUPAC3-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)propanoic acid
SMILESCc1nc(=O)n(C)c(C)c1CCC(=O)O
InChIInChI=1S/C10H14N2O3/c1-6-8(4-5-9(13)14)7(2)12(3)10(15)11-6/h4-5H2,1-3H3,(H,13,14)
InChIKeyYGWBEFYJFKXZNM-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.41
Rot. Bonds3

About 3-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)propanoic acid

3-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)propanoic acid (PubChem CID 43145176) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)propanoic acid
PubChem CID43145176
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)propanoic acid
SMILESCc1nc(=O)n(C)c(C)c1CCC(=O)O
InChIInChI=1S/C10H14N2O3/c1-6-8(4-5-9(13)14)7(2)12(3)10(15)11-6/h4-5H2,1-3H3,(H,13,14)
InChIKeyYGWBEFYJFKXZNM-UHFFFAOYSA-N
XLogP0.41
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4,6-Dimethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]propanoic acid
CID 43327715
3-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]propanoic acid
CID 63227196
3-[4,6-Dimethyl-2-oxo-1-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-2-methylpropanoic acid
CID 65293738
3-[4,6-Dimethyl-2-oxo-1-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-2-methylpropanoic acid
CID 65294024
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
3-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutan-2-yl)pyrimidin-5-yl]propanoic acid
CID 105933297
3-[4,6-Dimethyl-2-oxo-1-(2,2,3,3-tetrafluoropropyl)pyrimidin-5-yl]propanoic acid
CID 106295255
2-[1-(2,2-Difluoroethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid
CID 113303969
3-[1-(2,2-Difluoroethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
CID 113303970
3-[1-(2,2-Difluoroethyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]-2-methylpropanoic acid
CID 113303972
3-[4,6-Dimethyl-2-oxo-1-(4,4,4-trifluorobutyl)pyrimidin-5-yl]propanoic acid
CID 115521539

Frequently Asked Questions

What is the IUPAC name of 3-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)propanoic acid?
The IUPAC name of 3-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)propanoic acid (CID 43145176) is 3-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 3-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)propanoic acid?
The canonical SMILES for 3-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)propanoic acid is Cc1nc(=O)n(C)c(C)c1CCC(=O)O.
What is the InChIKey of 3-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)propanoic acid?
The InChIKey is YGWBEFYJFKXZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-8(4-5-9(13)14)7(2)12(3)10(15)11-6/h4-5H2,1-3H3,(H,13,14).
What are the key properties of 3-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)propanoic acid?
3-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4,6-trimethyl-2-oxopyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 43145176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).