5-[(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C14H11N3O6 — CID 136835129

IUPAC5-[(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=C1CCCc2oc(=O)c(/N=C/c3c(O)[nH]c(=O)[nH]c3=O)cc21
InChIInChI=1S/C14H11N3O6/c18-9-2-1-3-10-6(9)4-8(13(21)23-10)15-5-7-11(19)16-14(22)17-12(7)20/h4-5H,1-3H2,(H3,16,17,19,20,22)/b15-5+
InChIKeyJMRQMWPMVAZGQE-PJQLUOCWSA-N
MW317.26 g/mol
LogP-0.01
Rot. Bonds2

About 5-[(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 136835129) has the molecular formula C14H11N3O6 and a molecular weight of 317.26 g/mol. Its IUPAC name is 5-[(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID136835129
Molecular FormulaC14H11N3O6
Molecular Weight317.26 g/mol
Exact Mass317.06
IUPAC Name5-[(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=C1CCCc2oc(=O)c(/N=C/c3c(O)[nH]c(=O)[nH]c3=O)cc21
InChIInChI=1S/C14H11N3O6/c18-9-2-1-3-10-6(9)4-8(13(21)23-10)15-5-7-11(19)16-14(22)17-12(7)20/h4-5H,1-3H2,(H3,16,17,19,20,22)/b15-5+
InChIKeyJMRQMWPMVAZGQE-PJQLUOCWSA-N
XLogP-0.01
TPSA145.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

6-hydroxy-5-[(2-oxo-6-piperidin-1-yl-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-1H-pyrimidine-2,4-dione
CID 137074713
5-[(3,5-difluorophenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 2288826
5-(cycloheptyliminomethyl)-6-hydroxy-1H-pyrimidine-2,4-dione
CID 4830187
5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 3248071
5-[(3,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 2286598
6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione
CID 171982597
ethyl (Z)-2-[(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)iminomethyl]-3-hydroxy-3-phenylprop-2-enoate
CID 135462329
6-hydroxy-5-[[4-[4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]phenoxy]phenyl]iminomethyl]-1H-pyrimidine-2,4-dione
CID 4092805
4-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]benzoate
CID 2303609
2-iodo-6,7-dihydro-5H-1-benzofuran-4-one
CID 169089900
dimethyl 5-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]benzene-1,3-dicarboxylate
CID 2289598
6-hydroxy-5-[(E)-[3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]-1H-pyrimidine-2,4-dione
CID 135847275

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 136835129) is 5-[(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione is O=C1CCCc2oc(=O)c(/N=C/c3c(O)[nH]c(=O)[nH]c3=O)cc21.
What is the InChIKey of 5-[(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is JMRQMWPMVAZGQE-PJQLUOCWSA-N. The full InChI is InChI=1S/C14H11N3O6/c18-9-2-1-3-10-6(9)4-8(13(21)23-10)15-5-7-11(19)16-14(22)17-12(7)20/h4-5H,1-3H2,(H3,16,17,19,20,22)/b15-5+.
What are the key properties of 5-[(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 317.26 g/mol, XLogP of -0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 136835129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).