4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]oxolane-3-carboxylic acid

C11H16N4O4 — CID 136959174

IUPAC4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(c1nc[nH]c(=O)c1N)C1COCC1C(=O)O
InChIInChI=1S/C11H16N4O4/c1-2-15(7-4-19-3-6(7)11(17)18)9-8(12)10(16)14-5-13-9/h5-7H,2-4,12H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyQNZVSVAVRLCFAL-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.72
Rot. Bonds4

About 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]oxolane-3-carboxylic acid

4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]oxolane-3-carboxylic acid (PubChem CID 136959174) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]oxolane-3-carboxylic acid
PubChem CID136959174
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(c1nc[nH]c(=O)c1N)C1COCC1C(=O)O
InChIInChI=1S/C11H16N4O4/c1-2-15(7-4-19-3-6(7)11(17)18)9-8(12)10(16)14-5-13-9/h5-7H,2-4,12H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyQNZVSVAVRLCFAL-UHFFFAOYSA-N
XLogP-0.72
TPSA121.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]oxolane-3-carboxylic acid with MolForge

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Related Compounds

3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959067
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959165
4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959166
4-[methyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959170
4-[ethyl-(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959175
4-[ethyl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959178
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 136959180
4-[(6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 136959181
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]oxolane-3-carboxylic acid
CID 136959183
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methyloxolane-3-carboxylic acid
CID 136959185
2-[4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid
CID 136959326
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 137015862

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]oxolane-3-carboxylic acid (CID 136959174) is 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]oxolane-3-carboxylic acid is CCN(c1nc[nH]c(=O)c1N)C1COCC1C(=O)O.
What is the InChIKey of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]oxolane-3-carboxylic acid?
The InChIKey is QNZVSVAVRLCFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-2-15(7-4-19-3-6(7)11(17)18)9-8(12)10(16)14-5-13-9/h5-7H,2-4,12H2,1H3,(H,17,18)(H,13,14,16).
What are the key properties of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]oxolane-3-carboxylic acid?
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]oxolane-3-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of -0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 136959174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).