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

C10H13N3O4 — CID 136959070

IUPAC3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCc1nc(NC2(C(=O)O)CCOC2)cc(=O)[nH]1
InChIInChI=1S/C10H13N3O4/c1-6-11-7(4-8(14)12-6)13-10(9(15)16)2-3-17-5-10/h4H,2-3,5H2,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyQURNZOHCKYTZGN-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.27
Rot. Bonds3

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

3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (PubChem CID 136959070) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
PubChem CID136959070
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
SMILESCc1nc(NC2(C(=O)O)CCOC2)cc(=O)[nH]1
InChIInChI=1S/C10H13N3O4/c1-6-11-7(4-8(14)12-6)13-10(9(15)16)2-3-17-5-10/h4H,2-3,5H2,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyQURNZOHCKYTZGN-UHFFFAOYSA-N
XLogP-0.27
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid (CID 136959070) is 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is Cc1nc(NC2(C(=O)O)CCOC2)cc(=O)[nH]1.
What is the InChIKey of 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
The InChIKey is QURNZOHCKYTZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-6-11-7(4-8(14)12-6)13-10(9(15)16)2-3-17-5-10/h4H,2-3,5H2,1H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid?
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 136959070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).