4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid

C11H15N3O4 — CID 136959173

IUPAC4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCc1nc(N(C)C2COCC2C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c1-6-12-9(3-10(15)13-6)14(2)8-5-18-4-7(8)11(16)17/h3,7-8H,4-5H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyVCKUAHNWUIJHHG-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.39
Rot. Bonds3

About 4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid

4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 136959173) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID136959173
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCc1nc(N(C)C2COCC2C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O4/c1-6-12-9(3-10(15)13-6)14(2)8-5-18-4-7(8)11(16)17/h3,7-8H,4-5H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyVCKUAHNWUIJHHG-UHFFFAOYSA-N
XLogP-0.39
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (CID 136959173) is 4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is Cc1nc(N(C)C2COCC2C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is VCKUAHNWUIJHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-6-12-9(3-10(15)13-6)14(2)8-5-18-4-7(8)11(16)17/h3,7-8H,4-5H2,1-2H3,(H,16,17)(H,12,13,15).
What are the key properties of 4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 136959173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).