1-(furan-2-ylmethyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione

C17H15N3O5 — CID 137045248

IUPAC1-(furan-2-ylmethyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(/N=C/c2c(O)n(Cc3ccco3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H15N3O5/c1-24-12-6-4-11(5-7-12)18-9-14-15(21)19-17(23)20(16(14)22)10-13-3-2-8-25-13/h2-9,22H,10H2,1H3,(H,19,21,23)/b18-9+
InChIKeyYFSDZTZTNZCAQZ-GIJQJNRQSA-N
MW341.32 g/mol
LogP1.64
Rot. Bonds5

About 1-(furan-2-ylmethyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione

1-(furan-2-ylmethyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione (PubChem CID 137045248) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
PubChem CID137045248
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name1-(furan-2-ylmethyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(/N=C/c2c(O)n(Cc3ccco3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H15N3O5/c1-24-12-6-4-11(5-7-12)18-9-14-15(21)19-17(23)20(16(14)22)10-13-3-2-8-25-13/h2-9,22H,10H2,1H3,(H,19,21,23)/b18-9+
InChIKeyYFSDZTZTNZCAQZ-GIJQJNRQSA-N
XLogP1.64
TPSA109.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-ylmethyl)-6-hydroxy-5-[(4-phenoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 137144727
5-[[4-(diethylamino)phenyl]iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 3741391
5-(ethyliminomethyl)-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 137144670
1-(furan-2-ylmethyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione
CID 4302922
1-(furan-2-ylmethyl)-6-hydroxy-5-[(2-propan-2-ylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 3593135
5-[(5-chloro-2-methylphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 137144724
5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 4992665
4-[[[1-(furan-2-ylmethyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]methyl]benzoic acid
CID 137144723
1-(furan-2-ylmethyl)-6-hydroxy-5-[[(2R)-oxolan-2-yl]methyliminomethyl]pyrimidine-2,4-dione
CID 135895118
1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844562
N-[(Z)-[1-(furan-2-ylmethyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
CID 137289257
5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 3703645

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(furan-2-ylmethyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione (CID 137045248) is 1-(furan-2-ylmethyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(furan-2-ylmethyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(furan-2-ylmethyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione is COc1ccc(/N=C/c2c(O)n(Cc3ccco3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione?
The InChIKey is YFSDZTZTNZCAQZ-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-24-12-6-4-11(5-7-12)18-9-14-15(21)19-17(23)20(16(14)22)10-13-3-2-8-25-13/h2-9,22H,10H2,1H3,(H,19,21,23)/b18-9+.
What are the key properties of 1-(furan-2-ylmethyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione?
1-(furan-2-ylmethyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione has a molecular weight of 341.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 137045248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).