3-methyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid

C13H19N3O3 — CID 66250295

IUPAC3-methyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCC(C)c1cc(NC2COCC2(C)C(=O)O)ncn1
InChIInChI=1S/C13H19N3O3/c1-8(2)9-4-11(15-7-14-9)16-10-5-19-6-13(10,3)12(17)18/h4,7-8,10H,5-6H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyNEBUQRJPSNAJHY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.50
Rot. Bonds4

About 3-methyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid

3-methyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 66250295) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-methyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID66250295
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-methyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCC(C)c1cc(NC2COCC2(C)C(=O)O)ncn1
InChIInChI=1S/C13H19N3O3/c1-8(2)9-4-11(15-7-14-9)16-10-5-19-6-13(10,3)12(17)18/h4,7-8,10H,5-6H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyNEBUQRJPSNAJHY-UHFFFAOYSA-N
XLogP1.50
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid (CID 66250295) is 3-methyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid is CC(C)c1cc(NC2COCC2(C)C(=O)O)ncn1.
What is the InChIKey of 3-methyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is NEBUQRJPSNAJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)9-4-11(15-7-14-9)16-10-5-19-6-13(10,3)12(17)18/h4,7-8,10H,5-6H2,1-3H3,(H,17,18)(H,14,15,16).
What are the key properties of 3-methyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
3-methyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(6-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66250295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).