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

C11H15N3O5 — CID 137015912

IUPAC4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
SMILESCOc1c(NC2(C(=O)O)CCOCC2)nc[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-18-7-8(12-6-13-9(7)15)14-11(10(16)17)2-4-19-5-3-11/h6H,2-5H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyOINMNOHFMMZPOW-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.18
Rot. Bonds4

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

4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid (PubChem CID 137015912) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
PubChem CID137015912
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
SMILESCOc1c(NC2(C(=O)O)CCOCC2)nc[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-18-7-8(12-6-13-9(7)15)14-11(10(16)17)2-4-19-5-3-11/h6H,2-5H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyOINMNOHFMMZPOW-UHFFFAOYSA-N
XLogP-0.18
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 136958469
4-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958759
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 136959048
1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid
CID 136959117
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid
CID 136959287
2-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136959299
1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
CID 136959383
4-[(6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
CID 136959423
4-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]oxane-4-carboxylic acid
CID 136972254
4-[[4-(hydroxymethyl)oxan-4-yl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 137003319
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 137015840
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid
CID 137015911

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid (CID 137015912) is 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid is COc1c(NC2(C(=O)O)CCOCC2)nc[nH]c1=O.
What is the InChIKey of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid?
The InChIKey is OINMNOHFMMZPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-18-7-8(12-6-13-9(7)15)14-11(10(16)17)2-4-19-5-3-11/h6H,2-5H2,1H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid?
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]oxane-4-carboxylic acid is sourced from PubChem (CID 137015912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).