6-hydroxy-N-(1-hydroxypyridin-1-ium-4-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C10H9N4O5+ — CID 140796838

IUPAC6-hydroxy-N-(1-hydroxypyridin-1-ium-4-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cc[n+](O)cc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H8N4O5/c15-7(11-5-1-3-14(19)4-2-5)6-8(16)12-10(18)13-9(6)17/h1-4,19H,(H3,12,13,15,16,17,18)/p+1
InChIKeyBQJNQBANAWLFQM-UHFFFAOYSA-O
MW265.20 g/mol
LogP-1.45
Rot. Bonds2

About 6-hydroxy-N-(1-hydroxypyridin-1-ium-4-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

6-hydroxy-N-(1-hydroxypyridin-1-ium-4-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 140796838) has the molecular formula C10H9N4O5+ and a molecular weight of 265.20 g/mol. Its IUPAC name is 6-hydroxy-N-(1-hydroxypyridin-1-ium-4-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-(1-hydroxypyridin-1-ium-4-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID140796838
Molecular FormulaC10H9N4O5+
Molecular Weight265.20 g/mol
Exact Mass265.06
IUPAC Name6-hydroxy-N-(1-hydroxypyridin-1-ium-4-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cc[n+](O)cc1)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H8N4O5/c15-7(11-5-1-3-14(19)4-2-5)6-8(16)12-10(18)13-9(6)17/h1-4,19H,(H3,12,13,15,16,17,18)/p+1
InChIKeyBQJNQBANAWLFQM-UHFFFAOYSA-O
XLogP-1.45
TPSA139.16 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 5-1.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-N-(4-methylsulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 123458521
2-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]phenyl]acetic acid
CID 122423584
N-[4-(1,2-dihydrodiazet-3-yl)phenyl]-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 134533754
6-hydroxy-2,4-dioxo-N-(2-oxo-1H-pyridin-4-yl)-1H-pyrimidine-5-carboxamide
CID 118313500
N-(3,4-diiminocyclohexa-1,5-dien-1-yl)-6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 145126705
ethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate
CID 15947078
N-(4-carbamohydrazonoylphenyl)-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide
CID 145126709
N-[(Z)-1-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)ethylideneamino]-4-methylbenzamide
CID 135912944
6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione
CID 1385843
2-amino-4-hydroxy-6-oxo-N-phenyl-1H-pyrimidine-5-carboxamide
CID 118313501
N,N-diethylethanamine;6-hydroxy-N-[4-[2-(oxan-2-yl)tetrazol-5-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 122423595
trisodium;2-oxido-5-[(6-oxido-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate
CID 140796832

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-(1-hydroxypyridin-1-ium-4-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-hydroxy-N-(1-hydroxypyridin-1-ium-4-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 140796838) is 6-hydroxy-N-(1-hydroxypyridin-1-ium-4-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-hydroxy-N-(1-hydroxypyridin-1-ium-4-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-hydroxy-N-(1-hydroxypyridin-1-ium-4-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(Nc1cc[n+](O)cc1)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-N-(1-hydroxypyridin-1-ium-4-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is BQJNQBANAWLFQM-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H8N4O5/c15-7(11-5-1-3-14(19)4-2-5)6-8(16)12-10(18)13-9(6)17/h1-4,19H,(H3,12,13,15,16,17,18)/p+1.
What are the key properties of 6-hydroxy-N-(1-hydroxypyridin-1-ium-4-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
6-hydroxy-N-(1-hydroxypyridin-1-ium-4-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 265.20 g/mol, XLogP of -1.45, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-(1-hydroxypyridin-1-ium-4-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 140796838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).