2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C9H10N2O5 — CID 65351968

IUPAC2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C2COCCO2)[nH]c1=O
InChIInChI=1S/C9H10N2O5/c12-8-5(9(13)14)3-10-7(11-8)6-4-15-1-2-16-6/h3,6H,1-2,4H2,(H,13,14)(H,10,11,12)
InChIKeyGWPSXKKNSMTFBT-UHFFFAOYSA-N
MW226.19 g/mol
LogP-0.44
Rot. Bonds2

About 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 65351968) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID65351968
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C2COCCO2)[nH]c1=O
InChIInChI=1S/C9H10N2O5/c12-8-5(9(13)14)3-10-7(11-8)6-4-15-1-2-16-6/h3,6H,1-2,4H2,(H,13,14)(H,10,11,12)
InChIKeyGWPSXKKNSMTFBT-UHFFFAOYSA-N
XLogP-0.44
TPSA101.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Methoxypropan-2-yl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 79198178
6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylic acid
CID 103476106
6-oxo-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-5-carboxylic acid
CID 113819999
4-Hydroxy-2-methoxymethyl-pyrimidine-5-carboxylic acid
CID 62020376
2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 89471214
2-(2-Methoxyethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 30031665
6-Oxo-2-(propoxymethyl)-1,6-dihydropyrimidine-5-carboxylic acid
CID 62021111
2-(1-Ethoxyethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 64533216
ethyl 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 64533217
6-Oxo-2-(oxolan-2-yl)-1,6-dihydropyrimidine-5-carboxylic acid
CID 65328604
ethyl 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 65352015
2-(Ethoxymethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 65668080

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 65351968) is 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid is O=C(O)c1cnc(C2COCCO2)[nH]c1=O.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is GWPSXKKNSMTFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c12-8-5(9(13)14)3-10-7(11-8)6-4-15-1-2-16-6/h3,6H,1-2,4H2,(H,13,14)(H,10,11,12).
What are the key properties of 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 226.19 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 65351968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).