6-[(E)-[5-(hydroxymethyl)furan-2-yl]methylideneamino]-1H-pyrimidin-2-one

C10H9N3O3 — CID 71484992

IUPAC6-[(E)-[5-(hydroxymethyl)furan-2-yl]methylideneamino]-1H-pyrimidin-2-one
SMILESO=c1nccc(/N=C/c2ccc(CO)o2)[nH]1
InChIInChI=1S/C10H9N3O3/c14-6-8-2-1-7(16-8)5-12-9-3-4-11-10(15)13-9/h1-5,14H,6H2,(H,11,13,15)/b12-5+
InChIKeyWIRNSCMNYAJEMR-LFYBBSHMSA-N
MW219.20 g/mol
LogP0.61
Rot. Bonds3

About 6-[(E)-[5-(hydroxymethyl)furan-2-yl]methylideneamino]-1H-pyrimidin-2-one

6-[(E)-[5-(hydroxymethyl)furan-2-yl]methylideneamino]-1H-pyrimidin-2-one (PubChem CID 71484992) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 6-[(E)-[5-(hydroxymethyl)furan-2-yl]methylideneamino]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(E)-[5-(hydroxymethyl)furan-2-yl]methylideneamino]-1H-pyrimidin-2-one
PubChem CID71484992
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name6-[(E)-[5-(hydroxymethyl)furan-2-yl]methylideneamino]-1H-pyrimidin-2-one
SMILESO=c1nccc(/N=C/c2ccc(CO)o2)[nH]1
InChIInChI=1S/C10H9N3O3/c14-6-8-2-1-7(16-8)5-12-9-3-4-11-10(15)13-9/h1-5,14H,6H2,(H,11,13,15)/b12-5+
InChIKeyWIRNSCMNYAJEMR-LFYBBSHMSA-N
XLogP0.61
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-(hydroxyiminomethyl)furan-2-yl]methanol
CID 71437375
(3Z)-3,6-bis[[5-(hydroxymethyl)furan-2-yl]methylidene]piperazine-2,5-dione
CID 5359161
2-[[5-(hydroxymethyl)furan-2-yl]methylideneamino]-4-nitrophenol
CID 54122330
6-isocyanato-1H-pyrimidin-2-one
CID 122589470
[5-(benzyliminomethyl)furan-2-yl]methanol
CID 15254879
(E)-3-[5-(hydroxymethyl)furan-2-yl]prop-2-enamide
CID 55266499
4-[(2E)-2-[[5-(hydroxymethyl)furan-2-yl]methylidene]hydrazinyl]benzoic acid
CID 21352237
N-[3-[5-(hydroxymethyl)furan-2-yl]prop-2-enyl]acetamide
CID 169466848
5-[[5-(hydroxymethyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 14366971
[5-[(E)-3,3-dimethylbut-1-enyl]furan-2-yl]methanol
CID 153317965
[5-[(dibenzylhydrazinylidene)methyl]furan-2-yl]methanol
CID 74989909
(NE)-N-[(5-butylfuran-2-yl)methylidene]hydroxylamine
CID 13205479

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-[5-(hydroxymethyl)furan-2-yl]methylideneamino]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(E)-[5-(hydroxymethyl)furan-2-yl]methylideneamino]-1H-pyrimidin-2-one (CID 71484992) is 6-[(E)-[5-(hydroxymethyl)furan-2-yl]methylideneamino]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(E)-[5-(hydroxymethyl)furan-2-yl]methylideneamino]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(E)-[5-(hydroxymethyl)furan-2-yl]methylideneamino]-1H-pyrimidin-2-one is O=c1nccc(/N=C/c2ccc(CO)o2)[nH]1.
What is the InChIKey of 6-[(E)-[5-(hydroxymethyl)furan-2-yl]methylideneamino]-1H-pyrimidin-2-one?
The InChIKey is WIRNSCMNYAJEMR-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-6-8-2-1-7(16-8)5-12-9-3-4-11-10(15)13-9/h1-5,14H,6H2,(H,11,13,15)/b12-5+.
What are the key properties of 6-[(E)-[5-(hydroxymethyl)furan-2-yl]methylideneamino]-1H-pyrimidin-2-one?
6-[(E)-[5-(hydroxymethyl)furan-2-yl]methylideneamino]-1H-pyrimidin-2-one has a molecular weight of 219.20 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-[5-(hydroxymethyl)furan-2-yl]methylideneamino]-1H-pyrimidin-2-one is sourced from PubChem (CID 71484992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).