2-(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetic acid

C8H12N2O3 — CID 23794838

IUPAC2-(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetic acid
SMILESCC1=C(CC(=O)O)C(=O)NC(C)N1
InChIInChI=1S/C8H12N2O3/c1-4-6(3-7(11)12)8(13)10-5(2)9-4/h5,9H,3H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyYEJJFZCQCDXCLZ-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.20
Rot. Bonds2

About 2-(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetic acid

2-(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetic acid (PubChem CID 23794838) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetic acid
PubChem CID23794838
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetic acid
SMILESCC1=C(CC(=O)O)C(=O)NC(C)N1
InChIInChI=1S/C8H12N2O3/c1-4-6(3-7(11)12)8(13)10-5(2)9-4/h5,9H,3H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyYEJJFZCQCDXCLZ-UHFFFAOYSA-N
XLogP-0.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 743202
2-[6-(2-amino-2-oxoethyl)-3-(3-fluoropropyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
CID 71019130
2-(1,3,4-Trimethyl-2,6-dioxopyrimidin-5-yl)acetic acid
CID 14644804
2-[6-(carboxymethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
CID 150164704
2-[6-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
CID 150959935
2-[6-(methylaminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
CID 150964492
2-amino-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid
CID 174558233
(3-Butyl-6-methyl-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 28690343
(6-Methyl-4-oxo-3-pentyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 28690414
[6-Methyl-3-(3-methylbutyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]acetic acid
CID 28690416
(3-Butyl-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 28690496
(3-Cyclohexyl-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetic acid
CID 28690498

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetic acid (CID 23794838) is 2-(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetic acid is CC1=C(CC(=O)O)C(=O)NC(C)N1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is YEJJFZCQCDXCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-4-6(3-7(11)12)8(13)10-5(2)9-4/h5,9H,3H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 2-(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetic acid?
2-(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 184.19 g/mol, XLogP of -0.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 23794838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).