3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid

C10H14N2O3 — CID 60773691

IUPAC3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid
SMILESCc1cc(C)n(CC(C)C(=O)O)c(=O)n1
InChIInChI=1S/C10H14N2O3/c1-6(9(13)14)5-12-8(3)4-7(2)11-10(12)15/h4,6H,5H2,1-3H3,(H,13,14)
InChIKeyYTYXHDWLORCDQI-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.58
Rot. Bonds3

About 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid

3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid (PubChem CID 60773691) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid
PubChem CID60773691
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid
SMILESCc1cc(C)n(CC(C)C(=O)O)c(=O)n1
InChIInChI=1S/C10H14N2O3/c1-6(9(13)14)5-12-8(3)4-7(2)11-10(12)15/h4,6H,5H2,1-3H3,(H,13,14)
InChIKeyYTYXHDWLORCDQI-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)propanoic acid hydrochloride
CID 16417864
4-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)butanoic acid
CID 6498495
3-(4,6-Dimethyl-2-oxo-2H-pyrimidin-1-yl)-propionic acid
CID 6484627
2-[(4,6-Dimethyl-2-oxopyrimidin-1-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 113259081
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 6936021
2-(4,6-Dimethyl-2-oxopyrimidin-1-yl)propanoic acid
CID 16783736
4-(4,6-Dimethyl-2-oxo-2H-pyrimidin-1-YL)-butyric acid hydrochloride
CID 18593179
Methyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 28940050
Ethyl 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 43365424
2-[(4,6-Dimethyl-2-oxopyrimidin-1-yl)methyl]prop-2-enoic acid
CID 64116681
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 64472033
2-Amino-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoic acid
CID 65442415

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid (CID 60773691) is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid is Cc1cc(C)n(CC(C)C(=O)O)c(=O)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid?
The InChIKey is YTYXHDWLORCDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(9(13)14)5-12-8(3)4-7(2)11-10(12)15/h4,6H,5H2,1-3H3,(H,13,14).
What are the key properties of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid?
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 60773691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).