4-[(6-methoxypyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid

C11H15N3O4 — CID 66318064

IUPAC4-[(6-methoxypyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCOc1cc(NC2COCC2(C)C(=O)O)ncn1
InChIInChI=1S/C11H15N3O4/c1-11(10(15)16)5-18-4-7(11)14-8-3-9(17-2)13-6-12-8/h3,6-7H,4-5H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyAIOLWDOBWIZFPJ-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.39
Rot. Bonds4

About 4-[(6-methoxypyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid

4-[(6-methoxypyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66318064) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-[(6-methoxypyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(6-methoxypyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid
PubChem CID66318064
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name4-[(6-methoxypyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCOc1cc(NC2COCC2(C)C(=O)O)ncn1
InChIInChI=1S/C11H15N3O4/c1-11(10(15)16)5-18-4-7(11)14-8-3-9(17-2)13-6-12-8/h3,6-7H,4-5H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyAIOLWDOBWIZFPJ-UHFFFAOYSA-N
XLogP0.39
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxypyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(6-methoxypyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid (CID 66318064) is 4-[(6-methoxypyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(6-methoxypyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(6-methoxypyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid is COc1cc(NC2COCC2(C)C(=O)O)ncn1.
What is the InChIKey of 4-[(6-methoxypyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is AIOLWDOBWIZFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-11(10(15)16)5-18-4-7(11)14-8-3-9(17-2)13-6-12-8/h3,6-7H,4-5H2,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 4-[(6-methoxypyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid?
4-[(6-methoxypyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxypyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66318064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).