sodium 2-anilino-6-oxo-1-phenylpyrimidin-4-olate

C16H12N3NaO2 — CID 161309550

IUPACsodium 2-anilino-6-oxo-1-phenylpyrimidin-4-olate
SMILESO=c1cc([O-])nc(Nc2ccccc2)n1-c1ccccc1.[Na+]
InChIInChI=1S/C16H13N3O2.Na/c20-14-11-15(21)19(13-9-5-2-6-10-13)16(18-14)17-12-7-3-1-4-8-12;/h1-11,20H,(H,17,18);/q;+1/p-1
InChIKeyVIRXQXIVQAZEQK-UHFFFAOYSA-M
MW301.28 g/mol
LogP-0.95
Rot. Bonds3

About sodium 2-anilino-6-oxo-1-phenylpyrimidin-4-olate

sodium 2-anilino-6-oxo-1-phenylpyrimidin-4-olate (PubChem CID 161309550) has the molecular formula C16H12N3NaO2 and a molecular weight of 301.28 g/mol. Its IUPAC name is sodium 2-anilino-6-oxo-1-phenylpyrimidin-4-olate.

Molecular Properties

Compound Namesodium 2-anilino-6-oxo-1-phenylpyrimidin-4-olate
PubChem CID161309550
Molecular FormulaC16H12N3NaO2
Molecular Weight301.28 g/mol
Exact Mass301.08
IUPAC Namesodium 2-anilino-6-oxo-1-phenylpyrimidin-4-olate
SMILESO=c1cc([O-])nc(Nc2ccccc2)n1-c1ccccc1.[Na+]
InChIInChI=1S/C16H13N3O2.Na/c20-14-11-15(21)19(13-9-5-2-6-10-13)16(18-14)17-12-7-3-1-4-8-12;/h1-11,20H,(H,17,18);/q;+1/p-1
InChIKeyVIRXQXIVQAZEQK-UHFFFAOYSA-M
XLogP-0.95
TPSA69.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-3-phenylpyrimidin-4-one
CID 23762620
(Z)-18-(2-anilino-6-oxo-1-phenylpyrimidin-4-yl)octadec-9-enoic acid
CID 142771608
6-amino-2-(4-methylanilino)-1-phenylpyrimidin-4-one
CID 10171691
6-chloro-N,1-diphenylbenzimidazol-2-amine
CID 46854683
methyl 3-[(1-phenylbenzimidazol-2-yl)amino]benzoate
CID 141343666
2,6-dimethyl-3-phenylpyrimidin-4-one
CID 608225
(2-anilino-5-methyl-3-phenylimidazol-4-yl)-(4-chlorophenyl)methanone
CID 102413641
5-anilino-2-methyl-4-phenyl-1,2,4-triazole-3-thione
CID 14472445
2,3,6-triphenylpyrimidin-4-one
CID 13280772
4-(2-oxo-1-phenylquinolin-4-yl)-1-phenylquinolin-2-one
CID 11503080
2-(4-hydroxy-6-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 135408913
6-anilino-1-phenyl-4-pyridin-3-yl-1,3,5-triazine-2-thione
CID 102194730

Frequently Asked Questions

What is the IUPAC name of sodium 2-anilino-6-oxo-1-phenylpyrimidin-4-olate?
The IUPAC name of sodium 2-anilino-6-oxo-1-phenylpyrimidin-4-olate (CID 161309550) is sodium 2-anilino-6-oxo-1-phenylpyrimidin-4-olate.
What is the SMILES notation for sodium 2-anilino-6-oxo-1-phenylpyrimidin-4-olate?
The canonical SMILES for sodium 2-anilino-6-oxo-1-phenylpyrimidin-4-olate is O=c1cc([O-])nc(Nc2ccccc2)n1-c1ccccc1.[Na+].
What is the InChIKey of sodium 2-anilino-6-oxo-1-phenylpyrimidin-4-olate?
The InChIKey is VIRXQXIVQAZEQK-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13N3O2.Na/c20-14-11-15(21)19(13-9-5-2-6-10-13)16(18-14)17-12-7-3-1-4-8-12;/h1-11,20H,(H,17,18);/q;+1/p-1.
What are the key properties of sodium 2-anilino-6-oxo-1-phenylpyrimidin-4-olate?
sodium 2-anilino-6-oxo-1-phenylpyrimidin-4-olate has a molecular weight of 301.28 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-anilino-6-oxo-1-phenylpyrimidin-4-olate is sourced from PubChem (CID 161309550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).