6-(4-morpholin-4-ylpyridin-1-ium-1-yl)-1H-pyrimidine-2,4-dione

C13H15N4O3+ — CID 11843218

IUPAC6-(4-morpholin-4-ylpyridin-1-ium-1-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(-[n+]2ccc(N3CCOCC3)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C13H14N4O3/c18-12-9-11(14-13(19)15-12)17-3-1-10(2-4-17)16-5-7-20-8-6-16/h1-4,9H,5-8H2,(H-,14,15,18,19)/p+1
InChIKeyQZKKLHUMQHVLOD-UHFFFAOYSA-O
MW275.29 g/mol
LogP-0.82
Rot. Bonds2

About 6-(4-morpholin-4-ylpyridin-1-ium-1-yl)-1H-pyrimidine-2,4-dione

6-(4-morpholin-4-ylpyridin-1-ium-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 11843218) has the molecular formula C13H15N4O3+ and a molecular weight of 275.29 g/mol. Its IUPAC name is 6-(4-morpholin-4-ylpyridin-1-ium-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-morpholin-4-ylpyridin-1-ium-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID11843218
Molecular FormulaC13H15N4O3+
Molecular Weight275.29 g/mol
Exact Mass275.11
IUPAC Name6-(4-morpholin-4-ylpyridin-1-ium-1-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(-[n+]2ccc(N3CCOCC3)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C13H14N4O3/c18-12-9-11(14-13(19)15-12)17-3-1-10(2-4-17)16-5-7-20-8-6-16/h1-4,9H,5-8H2,(H-,14,15,18,19)/p+1
InChIKeyQZKKLHUMQHVLOD-UHFFFAOYSA-O
XLogP-0.82
TPSA82.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-Di-4-pyridinylurea
CID 1082704
5-(Pyridin-4-yliminomethyl)-1,3-diazinane-2,4,6-trione
CID 73333697
5-(C-methyl-N-pyridin-4-ylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
CID 73333701
2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-pyridin-3-ylacetamide
CID 77162235
Methyl 4-morpholin-4-ylpyridin-1-ium-1-carboxylate
CID 839677
[4-(Dimethylamino)pyridin-1-ium-1-yl]-morpholin-4-ylmethanone
CID 4360403
3-methyl-2,4-dioxo-N-(pyridin-4-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 56766070
(4-Morpholin-4-ylpyridin-1-ium-1-yl)-piperidin-1-ylmethanone
CID 131841976
4-(Morpholin-4-yl)pyridin-2-amine
CID 21934537
N-pyridin-4-ylpiperazine-1-carboxamide
CID 54419684
1-[3-(2,6-Dimethylmorpholin-4-yl)-3-oxopropyl]-3-pyridin-3-ylurea
CID 45832905
1-[2-(Dimethylamino)ethyl]-1-(2-methoxyethyl)-3-pyridin-4-ylurea
CID 72044627

Frequently Asked Questions

What is the IUPAC name of 6-(4-morpholin-4-ylpyridin-1-ium-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-morpholin-4-ylpyridin-1-ium-1-yl)-1H-pyrimidine-2,4-dione (CID 11843218) is 6-(4-morpholin-4-ylpyridin-1-ium-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-morpholin-4-ylpyridin-1-ium-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-morpholin-4-ylpyridin-1-ium-1-yl)-1H-pyrimidine-2,4-dione is O=c1cc(-[n+]2ccc(N3CCOCC3)cc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(4-morpholin-4-ylpyridin-1-ium-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is QZKKLHUMQHVLOD-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H14N4O3/c18-12-9-11(14-13(19)15-12)17-3-1-10(2-4-17)16-5-7-20-8-6-16/h1-4,9H,5-8H2,(H-,14,15,18,19)/p+1.
What are the key properties of 6-(4-morpholin-4-ylpyridin-1-ium-1-yl)-1H-pyrimidine-2,4-dione?
6-(4-morpholin-4-ylpyridin-1-ium-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 275.29 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-morpholin-4-ylpyridin-1-ium-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11843218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).