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

C13H19N3O4 — CID 136959171

IUPAC4-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCC(C)c1nc(N(C)C2COCC2C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O4/c1-7(2)12-14-10(4-11(17)15-12)16(3)9-6-20-5-8(9)13(18)19/h4,7-9H,5-6H2,1-3H3,(H,18,19)(H,14,15,17)
InChIKeyHAASOQBJXVUIDO-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.43
Rot. Bonds4

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

4-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 136959171) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID136959171
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name4-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCC(C)c1nc(N(C)C2COCC2C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O4/c1-7(2)12-14-10(4-11(17)15-12)16(3)9-6-20-5-8(9)13(18)19/h4,7-9H,5-6H2,1-3H3,(H,18,19)(H,14,15,17)
InChIKeyHAASOQBJXVUIDO-UHFFFAOYSA-N
XLogP0.43
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (CID 136959171) is 4-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is CC(C)c1nc(N(C)C2COCC2C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 4-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is HAASOQBJXVUIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-7(2)12-14-10(4-11(17)15-12)16(3)9-6-20-5-8(9)13(18)19/h4,7-9H,5-6H2,1-3H3,(H,18,19)(H,14,15,17).
What are the key properties of 4-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
4-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 136959171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).