5-hydroxy-6-oxo-2-[3-(phenoxycarbonylamino)phenyl]-1H-pyrimidine-4-carboxylic acid

C18H13N3O6 — CID 135434359

IUPAC5-hydroxy-6-oxo-2-[3-(phenoxycarbonylamino)phenyl]-1H-pyrimidine-4-carboxylic acid
SMILESO=C(Nc1cccc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)c1)Oc1ccccc1
InChIInChI=1S/C18H13N3O6/c22-14-13(17(24)25)20-15(21-16(14)23)10-5-4-6-11(9-10)19-18(26)27-12-7-2-1-3-8-12/h1-9,22H,(H,19,26)(H,24,25)(H,20,21,23)
InChIKeySDSSFBYNIKCQHA-UHFFFAOYSA-N
MW367.32 g/mol
LogP2.45
Rot. Bonds4

About 5-hydroxy-6-oxo-2-[3-(phenoxycarbonylamino)phenyl]-1H-pyrimidine-4-carboxylic acid

5-hydroxy-6-oxo-2-[3-(phenoxycarbonylamino)phenyl]-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434359) has the molecular formula C18H13N3O6 and a molecular weight of 367.32 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-2-[3-(phenoxycarbonylamino)phenyl]-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6-oxo-2-[3-(phenoxycarbonylamino)phenyl]-1H-pyrimidine-4-carboxylic acid
PubChem CID135434359
Molecular FormulaC18H13N3O6
Molecular Weight367.32 g/mol
Exact Mass367.08
IUPAC Name5-hydroxy-6-oxo-2-[3-(phenoxycarbonylamino)phenyl]-1H-pyrimidine-4-carboxylic acid
SMILESO=C(Nc1cccc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)c1)Oc1ccccc1
InChIInChI=1S/C18H13N3O6/c22-14-13(17(24)25)20-15(21-16(14)23)10-5-4-6-11(9-10)19-18(26)27-12-7-2-1-3-8-12/h1-9,22H,(H,19,26)(H,24,25)(H,20,21,23)
InChIKeySDSSFBYNIKCQHA-UHFFFAOYSA-N
XLogP2.45
TPSA141.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxo-2-[3-(phenoxycarbonylamino)phenyl]-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-6-oxo-2-[3-(phenoxycarbonylamino)phenyl]-1H-pyrimidine-4-carboxylic acid (CID 135434359) is 5-hydroxy-6-oxo-2-[3-(phenoxycarbonylamino)phenyl]-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-6-oxo-2-[3-(phenoxycarbonylamino)phenyl]-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-6-oxo-2-[3-(phenoxycarbonylamino)phenyl]-1H-pyrimidine-4-carboxylic acid is O=C(Nc1cccc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)c1)Oc1ccccc1.
What is the InChIKey of 5-hydroxy-6-oxo-2-[3-(phenoxycarbonylamino)phenyl]-1H-pyrimidine-4-carboxylic acid?
The InChIKey is SDSSFBYNIKCQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O6/c22-14-13(17(24)25)20-15(21-16(14)23)10-5-4-6-11(9-10)19-18(26)27-12-7-2-1-3-8-12/h1-9,22H,(H,19,26)(H,24,25)(H,20,21,23).
What are the key properties of 5-hydroxy-6-oxo-2-[3-(phenoxycarbonylamino)phenyl]-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-6-oxo-2-[3-(phenoxycarbonylamino)phenyl]-1H-pyrimidine-4-carboxylic acid has a molecular weight of 367.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxo-2-[3-(phenoxycarbonylamino)phenyl]-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).