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

C15H15N3O7S — CID 135434476

IUPAC5-hydroxy-6-oxo-2-[3-(oxolan-2-ylmethoxycarbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid
SMILESO=C(Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1)OCC1CCCO1
InChIInChI=1S/C15H15N3O7S/c19-10-9(14(21)22)17-12(18-13(10)20)11-8(3-5-26-11)16-15(23)25-6-7-2-1-4-24-7/h3,5,7,19H,1-2,4,6H2,(H,16,23)(H,21,22)(H,17,18,20)
InChIKeyGOCZWYKMZVDBLY-UHFFFAOYSA-N
MW381.37 g/mol
LogP1.63
Rot. Bonds5

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

5-hydroxy-6-oxo-2-[3-(oxolan-2-ylmethoxycarbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434476) has the molecular formula C15H15N3O7S and a molecular weight of 381.37 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-2-[3-(oxolan-2-ylmethoxycarbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6-oxo-2-[3-(oxolan-2-ylmethoxycarbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid
PubChem CID135434476
Molecular FormulaC15H15N3O7S
Molecular Weight381.37 g/mol
Exact Mass381.06
IUPAC Name5-hydroxy-6-oxo-2-[3-(oxolan-2-ylmethoxycarbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid
SMILESO=C(Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1)OCC1CCCO1
InChIInChI=1S/C15H15N3O7S/c19-10-9(14(21)22)17-12(18-13(10)20)11-8(3-5-26-11)16-15(23)25-6-7-2-1-4-24-7/h3,5,7,19H,1-2,4,6H2,(H,16,23)(H,21,22)(H,17,18,20)
InChIKeyGOCZWYKMZVDBLY-UHFFFAOYSA-N
XLogP1.63
TPSA150.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.37
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxo-2-[3-(oxolan-2-ylmethoxycarbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-6-oxo-2-[3-(oxolan-2-ylmethoxycarbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid (CID 135434476) is 5-hydroxy-6-oxo-2-[3-(oxolan-2-ylmethoxycarbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-6-oxo-2-[3-(oxolan-2-ylmethoxycarbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-6-oxo-2-[3-(oxolan-2-ylmethoxycarbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid is O=C(Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1)OCC1CCCO1.
What is the InChIKey of 5-hydroxy-6-oxo-2-[3-(oxolan-2-ylmethoxycarbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid?
The InChIKey is GOCZWYKMZVDBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O7S/c19-10-9(14(21)22)17-12(18-13(10)20)11-8(3-5-26-11)16-15(23)25-6-7-2-1-4-24-7/h3,5,7,19H,1-2,4,6H2,(H,16,23)(H,21,22)(H,17,18,20).
What are the key properties of 5-hydroxy-6-oxo-2-[3-(oxolan-2-ylmethoxycarbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-6-oxo-2-[3-(oxolan-2-ylmethoxycarbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid has a molecular weight of 381.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxo-2-[3-(oxolan-2-ylmethoxycarbonylamino)thiophen-2-yl]-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).