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

C10H14N2O3 — CID 6498495

IUPAC4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid
SMILESCc1cc(C)n(CCCC(=O)O)c(=O)n1
InChIInChI=1S/C10H14N2O3/c1-7-6-8(2)12(10(15)11-7)5-3-4-9(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyATBKGKHNCSKZBQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.72
Rot. Bonds4

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

4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid (PubChem CID 6498495) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid
PubChem CID6498495
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid
SMILESCc1cc(C)n(CCCC(=O)O)c(=O)n1
InChIInChI=1S/C10H14N2O3/c1-7-6-8(2)12(10(15)11-7)5-3-4-9(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyATBKGKHNCSKZBQ-UHFFFAOYSA-N
XLogP0.72
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.72
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
3-(4,6-Dimethyl-2-oxo-2H-pyrimidin-1-yl)-propionic acid
CID 6484627
4-(4,6-dimethyl-2-oxo-1H-pyrimidin-3-ium-3-yl)butanoic acid
CID 52953955
4-(4-Methyl-2-oxopyrimidin-1-yl)butanoic acid
CID 58823780
6-(4,6-Dimethyl-2-oxo-1(2H)-pyrimidinyl)hexanoic acid
CID 6611232
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)propanoate
CID 6936021
4-(4,6-Dimethyl-2-oxopyrimidin-1-yl)butanoate
CID 7442666
4-(4,6-Dimethyl-2-oxo-2H-pyrimidin-1-YL)-butyric acid hydrochloride
CID 18593179
5-(4,6-Dimethyl-2-oxopyrimidin-1-yl)pentanoic acid
CID 28971807
Methyl 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoate
CID 43378321
3-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2-methylpropanoic acid
CID 60773691
4-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylbutanoic acid
CID 65248075

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid?
The IUPAC name of 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid (CID 6498495) is 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid?
The canonical SMILES for 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid is Cc1cc(C)n(CCCC(=O)O)c(=O)n1.
What is the InChIKey of 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid?
The InChIKey is ATBKGKHNCSKZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7-6-8(2)12(10(15)11-7)5-3-4-9(13)14/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid?
4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanoic acid is sourced from PubChem (CID 6498495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).