2-(3-ethyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid

C9H12N2O4 — CID 28690730

IUPAC2-(3-ethyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid
SMILESCCn1c(=O)[nH]c(C)c(CC(=O)O)c1=O
InChIInChI=1S/C9H12N2O4/c1-3-11-8(14)6(4-7(12)13)5(2)10-9(11)15/h3-4H2,1-2H3,(H,10,15)(H,12,13)
InChIKeyBAPBREUQLPYXMQ-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.51
Rot. Bonds3

About 2-(3-ethyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid

2-(3-ethyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid (PubChem CID 28690730) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(3-ethyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid
PubChem CID28690730
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name2-(3-ethyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid
SMILESCCn1c(=O)[nH]c(C)c(CC(=O)O)c1=O
InChIInChI=1S/C9H12N2O4/c1-3-11-8(14)6(4-7(12)13)5(2)10-9(11)15/h3-4H2,1-2H3,(H,10,15)(H,12,13)
InChIKeyBAPBREUQLPYXMQ-UHFFFAOYSA-N
XLogP-0.51
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-Hydroxyethyl)-3,6-dimethyluracil
CID 129830464
2-(2,6-Dimethyl-4-oxo-1,2,3-trihydropyrimidin-5-yl)acetic acid
CID 23794838
2-(1,3,4-Trimethyl-2,6-dioxopyrimidin-5-yl)acetic acid
CID 14644804
Methyl 2-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetate
CID 50888656
2-(1,3-Diethyl-4-hydroxy-2,6-dioxopyrimidin-5-yl)acetic acid
CID 54053373
2,4-dioxo-5,6,8,9-tetrahydro-1H-pyrimido[4,5-d]azepine-7-carboxylic acid
CID 90986943
2-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid
CID 118611365
3-(5-bromo-3-butan-2-yl-2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid
CID 135304711
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(3-ethyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid (CID 28690730) is 2-(3-ethyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(3-ethyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(3-ethyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid is CCn1c(=O)[nH]c(C)c(CC(=O)O)c1=O.
What is the InChIKey of 2-(3-ethyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid?
The InChIKey is BAPBREUQLPYXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-3-11-8(14)6(4-7(12)13)5(2)10-9(11)15/h3-4H2,1-2H3,(H,10,15)(H,12,13).
What are the key properties of 2-(3-ethyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid?
2-(3-ethyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid has a molecular weight of 212.20 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetic acid is sourced from PubChem (CID 28690730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).