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

C10H14N4O4 — CID 137015911

IUPAC4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
SMILESNc1c(NC2(C(=O)O)CCOCC2)nc[nH]c1=O
InChIInChI=1S/C10H14N4O4/c11-6-7(12-5-13-8(6)15)14-10(9(16)17)1-3-18-4-2-10/h5H,1-4,11H2,(H,16,17)(H2,12,13,14,15)
InChIKeyPDGBVUVWYYVSFZ-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.60
Rot. Bonds3

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

4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid (PubChem CID 137015911) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
PubChem CID137015911
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
SMILESNc1c(NC2(C(=O)O)CCOCC2)nc[nH]c1=O
InChIInChI=1S/C10H14N4O4/c11-6-7(12-5-13-8(6)15)14-10(9(16)17)1-3-18-4-2-10/h5H,1-4,11H2,(H,16,17)(H2,12,13,14,15)
InChIKeyPDGBVUVWYYVSFZ-UHFFFAOYSA-N
XLogP-0.60
TPSA130.33 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-4-[[4-(hydroxymethyl)oxan-4-yl]amino]-1H-pyrimidin-6-one
CID 136730463
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methoxybutanoic acid
CID 136958754
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 136959067
4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
CID 136959423
4-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid
CID 136972250
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-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid (CID 137015911) is 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid is Nc1c(NC2(C(=O)O)CCOCC2)nc[nH]c1=O.
What is the InChIKey of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid?
The InChIKey is PDGBVUVWYYVSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c11-6-7(12-5-13-8(6)15)14-10(9(16)17)1-3-18-4-2-10/h5H,1-4,11H2,(H,16,17)(H2,12,13,14,15).
What are the key properties of 4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid?
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of -0.60, 3 rotatable bonds, 4 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)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 137015911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).