1-(oxan-2-ylmethyl)-2,4-dioxopyrimidine-5-carboxylic acid

C11H14N2O5 — CID 79875071

IUPAC1-(oxan-2-ylmethyl)-2,4-dioxopyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(CC2CCCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O5/c14-9-8(10(15)16)6-13(11(17)12-9)5-7-3-1-2-4-18-7/h6-7H,1-5H2,(H,15,16)(H,12,14,17)
InChIKeyGEEOHZKEVFNPQW-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.20
Rot. Bonds3

About 1-(oxan-2-ylmethyl)-2,4-dioxopyrimidine-5-carboxylic acid

1-(oxan-2-ylmethyl)-2,4-dioxopyrimidine-5-carboxylic acid (PubChem CID 79875071) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 1-(oxan-2-ylmethyl)-2,4-dioxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1-(oxan-2-ylmethyl)-2,4-dioxopyrimidine-5-carboxylic acid
PubChem CID79875071
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name1-(oxan-2-ylmethyl)-2,4-dioxopyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(CC2CCCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O5/c14-9-8(10(15)16)6-13(11(17)12-9)5-7-3-1-2-4-18-7/h6-7H,1-5H2,(H,15,16)(H,12,14,17)
InChIKeyGEEOHZKEVFNPQW-UHFFFAOYSA-N
XLogP-0.20
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dioxo-1-[2-(oxolan-2-yl)ethyl]pyrimidine-5-carboxylic acid
CID 79874687
5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione
CID 165479640
2,4-dioxo-1-(piperidin-4-ylmethyl)pyrimidine-5-carboxylic acid
CID 115114607
4-iodo-1-(oxan-2-ylmethyl)pyrrole-2-carboxylic acid
CID 114604632
4-acetyl-1-(oxan-2-ylmethyl)pyrrole-2-carboxylic acid
CID 114604636
3-(oxan-2-ylmethyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82783976
4-chloro-1-(oxolan-2-ylmethyl)indole-3-carboxylic acid
CID 121393283
9-hydroxy-2-(oxan-2-ylmethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 134385217
1-[2-[cyclopropyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carboxylic acid
CID 79875782
1-(oxan-2-ylmethyl)indole-5-carboxylic acid
CID 63935795
2,4-dioxo-1-(2,2,2-trifluoroethyl)pyrimidine-5-carboxylic acid
CID 79873769
1-(oxan-2-ylmethyl)indole-6-carboxylic acid
CID 63936403

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylmethyl)-2,4-dioxopyrimidine-5-carboxylic acid?
The IUPAC name of 1-(oxan-2-ylmethyl)-2,4-dioxopyrimidine-5-carboxylic acid (CID 79875071) is 1-(oxan-2-ylmethyl)-2,4-dioxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 1-(oxan-2-ylmethyl)-2,4-dioxopyrimidine-5-carboxylic acid?
The canonical SMILES for 1-(oxan-2-ylmethyl)-2,4-dioxopyrimidine-5-carboxylic acid is O=C(O)c1cn(CC2CCCCO2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(oxan-2-ylmethyl)-2,4-dioxopyrimidine-5-carboxylic acid?
The InChIKey is GEEOHZKEVFNPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c14-9-8(10(15)16)6-13(11(17)12-9)5-7-3-1-2-4-18-7/h6-7H,1-5H2,(H,15,16)(H,12,14,17).
What are the key properties of 1-(oxan-2-ylmethyl)-2,4-dioxopyrimidine-5-carboxylic acid?
1-(oxan-2-ylmethyl)-2,4-dioxopyrimidine-5-carboxylic acid has a molecular weight of 254.24 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethyl)-2,4-dioxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 79875071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).