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

C18H14N4O5 — CID 135434234

IUPAC5-hydroxy-6-oxo-2-[2-(phenylcarbamoylamino)phenyl]-1H-pyrimidine-4-carboxylic acid
SMILESO=C(Nc1ccccc1)Nc1ccccc1-c1nc(C(=O)O)c(O)c(=O)[nH]1
InChIInChI=1S/C18H14N4O5/c23-14-13(17(25)26)21-15(22-16(14)24)11-8-4-5-9-12(11)20-18(27)19-10-6-2-1-3-7-10/h1-9,23H,(H,25,26)(H2,19,20,27)(H,21,22,24)
InChIKeyBVSZNDPDHKNYGQ-UHFFFAOYSA-N
MW366.33 g/mol
LogP2.48
Rot. Bonds4

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

5-hydroxy-6-oxo-2-[2-(phenylcarbamoylamino)phenyl]-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434234) has the molecular formula C18H14N4O5 and a molecular weight of 366.33 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-2-[2-(phenylcarbamoylamino)phenyl]-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6-oxo-2-[2-(phenylcarbamoylamino)phenyl]-1H-pyrimidine-4-carboxylic acid
PubChem CID135434234
Molecular FormulaC18H14N4O5
Molecular Weight366.33 g/mol
Exact Mass366.10
IUPAC Name5-hydroxy-6-oxo-2-[2-(phenylcarbamoylamino)phenyl]-1H-pyrimidine-4-carboxylic acid
SMILESO=C(Nc1ccccc1)Nc1ccccc1-c1nc(C(=O)O)c(O)c(=O)[nH]1
InChIInChI=1S/C18H14N4O5/c23-14-13(17(25)26)21-15(22-16(14)24)11-8-4-5-9-12(11)20-18(27)19-10-6-2-1-3-7-10/h1-9,23H,(H,25,26)(H2,19,20,27)(H,21,22,24)
InChIKeyBVSZNDPDHKNYGQ-UHFFFAOYSA-N
XLogP2.48
TPSA144.41 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 52.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-6-oxo-2-[3-[(2-phenylphenyl)carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid
CID 135434305
5-hydroxy-6-oxo-2-[2-[[2-(trifluoromethyl)phenyl]methylcarbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid
CID 135434189
5-hydroxy-6-oxo-2-[3-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid
CID 135434346
2-[2-(2,3-dihydro-1H-inden-1-ylcarbamoylamino)phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434250
5-hydroxy-2-[2-(1-naphthalen-1-ylethylcarbamoylamino)phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434228
2-[2-[(2-chlorophenyl)methylsulfamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434212
2-[2-[(4-bromophenyl)sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434224
5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434247
5-hydroxy-2-[2-[(3-nitrobenzoyl)amino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434268
5-hydroxy-2-[4-[(2-hydroxy-2-phenylacetyl)amino]thiophen-3-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434692
2-[3-[(2-chlorophenyl)methylcarbamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434290
1-[2-[6-(4-ethylphenyl)-5-oxo-4H-1,2,4-triazin-3-yl]phenyl]-3-phenylurea
CID 137279435

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxo-2-[2-(phenylcarbamoylamino)phenyl]-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-6-oxo-2-[2-(phenylcarbamoylamino)phenyl]-1H-pyrimidine-4-carboxylic acid (CID 135434234) is 5-hydroxy-6-oxo-2-[2-(phenylcarbamoylamino)phenyl]-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-6-oxo-2-[2-(phenylcarbamoylamino)phenyl]-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-6-oxo-2-[2-(phenylcarbamoylamino)phenyl]-1H-pyrimidine-4-carboxylic acid is O=C(Nc1ccccc1)Nc1ccccc1-c1nc(C(=O)O)c(O)c(=O)[nH]1.
What is the InChIKey of 5-hydroxy-6-oxo-2-[2-(phenylcarbamoylamino)phenyl]-1H-pyrimidine-4-carboxylic acid?
The InChIKey is BVSZNDPDHKNYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O5/c23-14-13(17(25)26)21-15(22-16(14)24)11-8-4-5-9-12(11)20-18(27)19-10-6-2-1-3-7-10/h1-9,23H,(H,25,26)(H2,19,20,27)(H,21,22,24).
What are the key properties of 5-hydroxy-6-oxo-2-[2-(phenylcarbamoylamino)phenyl]-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-6-oxo-2-[2-(phenylcarbamoylamino)phenyl]-1H-pyrimidine-4-carboxylic acid has a molecular weight of 366.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxo-2-[2-(phenylcarbamoylamino)phenyl]-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).