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

C15H23N3O3 — CID 66245857

IUPAC4-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCCN(c1cc(C)nc(C(C)C)n1)C1COCC1C(=O)O
InChIInChI=1S/C15H23N3O3/c1-5-18(12-8-21-7-11(12)15(19)20)13-6-10(4)16-14(17-13)9(2)3/h6,9,11-12H,5,7-8H2,1-4H3,(H,19,20)
InChIKeyYPTDCUBYIUFFLS-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.83
Rot. Bonds5

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

4-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 66245857) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID66245857
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCCN(c1cc(C)nc(C(C)C)n1)C1COCC1C(=O)O
InChIInChI=1S/C15H23N3O3/c1-5-18(12-8-21-7-11(12)15(19)20)13-6-10(4)16-14(17-13)9(2)3/h6,9,11-12H,5,7-8H2,1-4H3,(H,19,20)
InChIKeyYPTDCUBYIUFFLS-UHFFFAOYSA-N
XLogP1.83
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid (CID 66245857) is 4-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid is CCN(c1cc(C)nc(C(C)C)n1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is YPTDCUBYIUFFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-18(12-8-21-7-11(12)15(19)20)13-6-10(4)16-14(17-13)9(2)3/h6,9,11-12H,5,7-8H2,1-4H3,(H,19,20).
What are the key properties of 4-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).