6-(2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid

C9H12N2O4 — CID 150802658

IUPAC6-(2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
SMILESCC(C)Cc1[nH]c(=O)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C9H12N2O4/c1-4(2)3-5-6(8(13)14)7(12)11-9(15)10-5/h4H,3H2,1-2H3,(H,13,14)(H2,10,11,12,15)
InChIKeyKGEUDTKAFMJGPK-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.04
Rot. Bonds3

About 6-(2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid

6-(2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 150802658) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-(2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
PubChem CID150802658
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name6-(2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
SMILESCC(C)Cc1[nH]c(=O)[nH]c(=O)c1C(=O)O
InChIInChI=1S/C9H12N2O4/c1-4(2)3-5-6(8(13)14)7(12)11-9(15)10-5/h4H,3H2,1-2H3,(H,13,14)(H2,10,11,12,15)
InChIKeyKGEUDTKAFMJGPK-UHFFFAOYSA-N
XLogP-0.04
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dihydroxy-6-methylpyrimidine-5-carboxylic acid
CID 327176
6-(1,1-dihydroxy-2-methylpropyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 23615506
6-(1-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
CID 152163324
2-(5-ethyl-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
CID 82398486
6-(cyanomethyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
CID 82400687
1-Methyl-2,4-dioxo-6-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 125451512
6-Ethyl-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 125452059

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-(2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid (CID 150802658) is 6-(2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-(2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-(2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid is CC(C)Cc1[nH]c(=O)[nH]c(=O)c1C(=O)O.
What is the InChIKey of 6-(2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is KGEUDTKAFMJGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-4(2)3-5-6(8(13)14)7(12)11-9(15)10-5/h4H,3H2,1-2H3,(H,13,14)(H2,10,11,12,15).
What are the key properties of 6-(2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
6-(2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of -0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 150802658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).