disodium bis(6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxylate)

C32H20N6Na2O6 — CID 139881687

IUPACdisodium bis(6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxylate)
SMILESO=C([O-])c1c(-c2ccccc2)nc(-c2cccnc2)[nH]c1=O.O=C([O-])c1c(-c2ccccc2)nc(-c2cccnc2)[nH]c1=O.[Na+].[Na+]
InChIInChI=1S/2C16H11N3O3.2Na/c2*20-15-12(16(21)22)13(10-5-2-1-3-6-10)18-14(19-15)11-7-4-8-17-9-11;;/h2*1-9H,(H,21,22)(H,18,19,20);;/q;;2*+1/p-2
InChIKeyFXQSRAMXGPRJOO-UHFFFAOYSA-L
MW630.53 g/mol
LogP-4.27
Rot. Bonds6

About disodium bis(6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxylate)

disodium bis(6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxylate) (PubChem CID 139881687) has the molecular formula C32H20N6Na2O6 and a molecular weight of 630.53 g/mol. Its IUPAC name is disodium bis(6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxylate).

Molecular Properties

Compound Namedisodium bis(6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxylate)
PubChem CID139881687
Molecular FormulaC32H20N6Na2O6
Molecular Weight630.53 g/mol
Exact Mass630.12
IUPAC Namedisodium bis(6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxylate)
SMILESO=C([O-])c1c(-c2ccccc2)nc(-c2cccnc2)[nH]c1=O.O=C([O-])c1c(-c2ccccc2)nc(-c2cccnc2)[nH]c1=O.[Na+].[Na+]
InChIInChI=1S/2C16H11N3O3.2Na/c2*20-15-12(16(21)22)13(10-5-2-1-3-6-10)18-14(19-15)11-7-4-8-17-9-11;;/h2*1-9H,(H,21,22)(H,18,19,20);;/q;;2*+1/p-2
InChIKeyFXQSRAMXGPRJOO-UHFFFAOYSA-L
XLogP-4.27
TPSA197.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.53
LogP ≤ 5-4.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(6-oxo-2-phenyl-4-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
CID 136815026
2-pyridin-3-yl-3,4,5,6-tetrahydroimidazo[4,5-c]pyridin-7-one
CID 96612175
potassium 4-(diethylamino)-6-phenyl-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 139881691
4-hydroxy-5-propan-2-yl-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 63611953
ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate
CID 44605735
5-(4-bromophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 79431022
3-hydroxy-6-(methoxymethyl)-2-(4-phenyl-2-pyridin-3-yl-1H-imidazol-5-yl)pyran-4-one
CID 146048839
5-methyl-2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135753934
5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136764386
5-methyl-4-oxo-N-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28889045
5-(3-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 79431652
3-[5-(2,3-dichlorophenyl)-4-phenyl-1H-imidazol-2-yl]pyridine
CID 150000034

Frequently Asked Questions

What is the IUPAC name of disodium bis(6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxylate)?
The IUPAC name of disodium bis(6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxylate) (CID 139881687) is disodium bis(6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxylate).
What is the SMILES notation for disodium bis(6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxylate)?
The canonical SMILES for disodium bis(6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxylate) is O=C([O-])c1c(-c2ccccc2)nc(-c2cccnc2)[nH]c1=O.O=C([O-])c1c(-c2ccccc2)nc(-c2cccnc2)[nH]c1=O.[Na+].[Na+].
What is the InChIKey of disodium bis(6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxylate)?
The InChIKey is FXQSRAMXGPRJOO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H11N3O3.2Na/c2*20-15-12(16(21)22)13(10-5-2-1-3-6-10)18-14(19-15)11-7-4-8-17-9-11;;/h2*1-9H,(H,21,22)(H,18,19,20);;/q;;2*+1/p-2.
What are the key properties of disodium bis(6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxylate)?
disodium bis(6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxylate) has a molecular weight of 630.53 g/mol, XLogP of -4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for disodium bis(6-oxo-4-phenyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxylate) is sourced from PubChem (CID 139881687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).