2-(1-methoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C10H14N2O4 — CID 116728178

IUPAC2-(1-methoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOC(c1ncc(C(=O)O)c(=O)[nH]1)C(C)C
InChIInChI=1S/C10H14N2O4/c1-5(2)7(16-3)8-11-4-6(10(14)15)9(13)12-8/h4-5,7H,1-3H3,(H,14,15)(H,11,12,13)
InChIKeySSCLLQRTWZIZSC-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.81
Rot. Bonds4

About 2-(1-methoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(1-methoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 116728178) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(1-methoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID116728178
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-(1-methoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOC(c1ncc(C(=O)O)c(=O)[nH]1)C(C)C
InChIInChI=1S/C10H14N2O4/c1-5(2)7(16-3)8-11-4-6(10(14)15)9(13)12-8/h4-5,7H,1-3H3,(H,14,15)(H,11,12,13)
InChIKeySSCLLQRTWZIZSC-UHFFFAOYSA-N
XLogP0.81
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(1-methoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 116728178) is 2-(1-methoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(1-methoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(1-methoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is COC(c1ncc(C(=O)O)c(=O)[nH]1)C(C)C.
What is the InChIKey of 2-(1-methoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is SSCLLQRTWZIZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-5(2)7(16-3)8-11-4-6(10(14)15)9(13)12-8/h4-5,7H,1-3H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-(1-methoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(1-methoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116728178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).