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

C10H14N2O3 — CID 63768291

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

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

4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanoic acid (PubChem CID 63768291) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanoic acid
PubChem CID63768291
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanoic acid
SMILESCc1cc(=O)n(CCCC(=O)O)c(C)n1
InChIInChI=1S/C10H14N2O3/c1-7-6-9(13)12(8(2)11-7)5-3-4-10(14)15/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyHQPNAPYNUWNIJM-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-(6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)propanoic acid
CID 135604875
4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methylamino]butanoic acid
CID 137277397
4-(4-Methyl-6-oxopyrimidin-1-yl)butanoic acid
CID 61224177
Methyl 4-(4-methyl-6-oxopyrimidin-1-yl)butanoate
CID 61224363
4-[Methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]butanoic acid
CID 61601417
3-(2,4-Dimethyl-6-oxopyrimidin-1-yl)-2-methylpropanoic acid
CID 63767935
5-(2,4-Dimethyl-6-oxopyrimidin-1-yl)pentanoic acid
CID 63768647
Methyl 4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanoate
CID 63768648
3-(4-Hydroxybutyl)-2,6-dimethylpyrimidin-4-one
CID 63769737
3-(2,4-Dimethyl-6-oxopyrimidin-1-yl)propanoic acid
CID 63770048
6-(2,4-Dimethyl-6-oxopyrimidin-1-yl)hexanoic acid
CID 64298835
4-(2,4-Dimethyl-6-oxopyrimidin-1-yl)-2,2-dimethylbutanoic acid
CID 65247755

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanoic acid?
The IUPAC name of 4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanoic acid (CID 63768291) is 4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanoic acid?
The canonical SMILES for 4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanoic acid is Cc1cc(=O)n(CCCC(=O)O)c(C)n1.
What is the InChIKey of 4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanoic acid?
The InChIKey is HQPNAPYNUWNIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7-6-9(13)12(8(2)11-7)5-3-4-10(14)15/h6H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanoic acid?
4-(2,4-dimethyl-6-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-(2,4-dimethyl-6-oxopyrimidin-1-yl)butanoic acid is sourced from PubChem (CID 63768291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).