4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid

C10H13N3O4 — CID 136959423

IUPAC4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
SMILESO=C(O)C1(Nc2cc(=O)[nH]cn2)CCOCC1
InChIInChI=1S/C10H13N3O4/c14-8-5-7(11-6-12-8)13-10(9(15)16)1-3-17-4-2-10/h5-6H,1-4H2,(H,15,16)(H2,11,12,13,14)
InChIKeyGOMOBYXSGZJKHI-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.18
Rot. Bonds3

About 4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid

4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid (PubChem CID 136959423) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
PubChem CID136959423
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
SMILESO=C(O)C1(Nc2cc(=O)[nH]cn2)CCOCC1
InChIInChI=1S/C10H13N3O4/c14-8-5-7(11-6-12-8)13-10(9(15)16)1-3-17-4-2-10/h5-6H,1-4H2,(H,15,16)(H2,11,12,13,14)
InChIKeyGOMOBYXSGZJKHI-UHFFFAOYSA-N
XLogP-0.18
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 ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730476
4-methoxy-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958755
3-[(6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959068
2-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136959296
4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
CID 136959426
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
CID 136959427
4-[[(6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid
CID 136972251
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
CID 137015911
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
CID 137015912

Frequently Asked Questions

What is the IUPAC name of 4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid (CID 136959423) is 4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid is O=C(O)C1(Nc2cc(=O)[nH]cn2)CCOCC1.
What is the InChIKey of 4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid?
The InChIKey is GOMOBYXSGZJKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-8-5-7(11-6-12-8)13-10(9(15)16)1-3-17-4-2-10/h5-6H,1-4H2,(H,15,16)(H2,11,12,13,14).
What are the key properties of 4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid?
4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 136959423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).