5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]-2-pyridinyl]methylideneamino]-1H-pyrimidine-2,4-dione

C15H11N7O4 — CID 139060092

IUPAC5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]-2-pyridinyl]methylideneamino]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(/N=C/c2cccc(/C=N/c3c[nH]c(=O)[nH]c3=O)n2)c(=O)[nH]1
InChIInChI=1S/C15H11N7O4/c23-12-10(6-18-14(25)21-12)16-4-8-2-1-3-9(20-8)5-17-11-7-19-15(26)22-13(11)24/h1-7H,(H2,18,21,23,25)(H2,19,22,24,26)/b16-4+,17-5+
InChIKeyCEXJJQMZZUDEGQ-KOVNFMEWSA-N
MW353.30 g/mol
LogP-0.66
Rot. Bonds4

About 5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]-2-pyridinyl]methylideneamino]-1H-pyrimidine-2,4-dione

5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]-2-pyridinyl]methylideneamino]-1H-pyrimidine-2,4-dione (PubChem CID 139060092) has the molecular formula C15H11N7O4 and a molecular weight of 353.30 g/mol. Its IUPAC name is 5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]-2-pyridinyl]methylideneamino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]-2-pyridinyl]methylideneamino]-1H-pyrimidine-2,4-dione
PubChem CID139060092
Molecular FormulaC15H11N7O4
Molecular Weight353.30 g/mol
Exact Mass353.09
IUPAC Name5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]-2-pyridinyl]methylideneamino]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(/N=C/c2cccc(/C=N/c3c[nH]c(=O)[nH]c3=O)n2)c(=O)[nH]1
InChIInChI=1S/C15H11N7O4/c23-12-10(6-18-14(25)21-12)16-4-8-2-1-3-9(20-8)5-17-11-7-19-15(26)22-13(11)24/h1-7H,(H2,18,21,23,25)(H2,19,22,24,26)/b16-4+,17-5+
InChIKeyCEXJJQMZZUDEGQ-KOVNFMEWSA-N
XLogP-0.66
TPSA169.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(7-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1H-pyrimidine-2,4-dione
CID 30619595
N-(3-fluoro-2-methylphenyl)-1-[6-[(3-fluoro-2-methylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 141022243
5-(1H-indol-7-yl)-1H-pyrimidine-2,4-dione
CID 56624008
N-[[6-[(E)-hydroxyiminomethyl]-2-pyridinyl]methylidene]hydroxylamine
CID 135678754
iron;bis(propan-2-one);N-(2-propan-2-ylphenyl)-1-[6-[(2-propan-2-ylphenyl)iminomethyl]-2-pyridinyl]methanimine
CID 175270466
5-[[5-[4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-5-methylthiophen-2-yl]-2-hydroxyphenyl]methylideneamino]-1H-pyrimidine-2,4-dione
CID 137258573
5-methanehydrazonoyl-1H-pyrimidine-2,4-dione
CID 137221150
5-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
CID 135603822
N-(2,6-diethylphenyl)-1-[6-[(2,6-diethylphenyl)iminomethyl]-2-pyridinyl]methanimine;iron(3+);trichloride
CID 70014772
5-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethynyl]-1H-pyrimidine-2,4-dione
CID 10658057
N-(3-chlorophenyl)-1-[6-[(3-chlorophenyl)iminomethyl]-2-pyridinyl]methanimine
CID 21130230
5-(2-phenylethynyl)-1H-pyrimidine-2,4-dione
CID 15673477

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]-2-pyridinyl]methylideneamino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]-2-pyridinyl]methylideneamino]-1H-pyrimidine-2,4-dione (CID 139060092) is 5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]-2-pyridinyl]methylideneamino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]-2-pyridinyl]methylideneamino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]-2-pyridinyl]methylideneamino]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(/N=C/c2cccc(/C=N/c3c[nH]c(=O)[nH]c3=O)n2)c(=O)[nH]1.
What is the InChIKey of 5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]-2-pyridinyl]methylideneamino]-1H-pyrimidine-2,4-dione?
The InChIKey is CEXJJQMZZUDEGQ-KOVNFMEWSA-N. The full InChI is InChI=1S/C15H11N7O4/c23-12-10(6-18-14(25)21-12)16-4-8-2-1-3-9(20-8)5-17-11-7-19-15(26)22-13(11)24/h1-7H,(H2,18,21,23,25)(H2,19,22,24,26)/b16-4+,17-5+.
What are the key properties of 5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]-2-pyridinyl]methylideneamino]-1H-pyrimidine-2,4-dione?
5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]-2-pyridinyl]methylideneamino]-1H-pyrimidine-2,4-dione has a molecular weight of 353.30 g/mol, XLogP of -0.66, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[(2,4-dioxo-1H-pyrimidin-5-yl)iminomethyl]-2-pyridinyl]methylideneamino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 139060092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).