5-hydroxy-2-[3-(2-methylpropoxycarbonylamino)thiophen-2-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid

C14H15N3O6S — CID 135434485

IUPAC5-hydroxy-2-[3-(2-methylpropoxycarbonylamino)thiophen-2-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCC(C)COC(=O)Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1
InChIInChI=1S/C14H15N3O6S/c1-6(2)5-23-14(22)15-7-3-4-24-10(7)11-16-8(13(20)21)9(18)12(19)17-11/h3-4,6,18H,5H2,1-2H3,(H,15,22)(H,20,21)(H,16,17,19)
InChIKeyOAYUQBPXSNVOBG-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.11
Rot. Bonds5

About 5-hydroxy-2-[3-(2-methylpropoxycarbonylamino)thiophen-2-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid

5-hydroxy-2-[3-(2-methylpropoxycarbonylamino)thiophen-2-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434485) has the molecular formula C14H15N3O6S and a molecular weight of 353.36 g/mol. Its IUPAC name is 5-hydroxy-2-[3-(2-methylpropoxycarbonylamino)thiophen-2-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-[3-(2-methylpropoxycarbonylamino)thiophen-2-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135434485
Molecular FormulaC14H15N3O6S
Molecular Weight353.36 g/mol
Exact Mass353.07
IUPAC Name5-hydroxy-2-[3-(2-methylpropoxycarbonylamino)thiophen-2-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCC(C)COC(=O)Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1
InChIInChI=1S/C14H15N3O6S/c1-6(2)5-23-14(22)15-7-3-4-24-10(7)11-16-8(13(20)21)9(18)12(19)17-11/h3-4,6,18H,5H2,1-2H3,(H,15,22)(H,20,21)(H,16,17,19)
InChIKeyOAYUQBPXSNVOBG-UHFFFAOYSA-N
XLogP2.11
TPSA141.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[3-(2-methylpropoxycarbonylamino)thiophen-2-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-2-[3-(2-methylpropoxycarbonylamino)thiophen-2-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135434485) is 5-hydroxy-2-[3-(2-methylpropoxycarbonylamino)thiophen-2-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-[3-(2-methylpropoxycarbonylamino)thiophen-2-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-[3-(2-methylpropoxycarbonylamino)thiophen-2-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid is CC(C)COC(=O)Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1.
What is the InChIKey of 5-hydroxy-2-[3-(2-methylpropoxycarbonylamino)thiophen-2-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is OAYUQBPXSNVOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O6S/c1-6(2)5-23-14(22)15-7-3-4-24-10(7)11-16-8(13(20)21)9(18)12(19)17-11/h3-4,6,18H,5H2,1-2H3,(H,15,22)(H,20,21)(H,16,17,19).
What are the key properties of 5-hydroxy-2-[3-(2-methylpropoxycarbonylamino)thiophen-2-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-2-[3-(2-methylpropoxycarbonylamino)thiophen-2-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 353.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[3-(2-methylpropoxycarbonylamino)thiophen-2-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).