1-(furan-2-ylmethyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione

C14H17N3O5 — CID 4302922

IUPAC1-(furan-2-ylmethyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione
SMILESCOCCC/N=C/c1c(O)n(Cc2ccco2)c(=O)[nH]c1=O
InChIInChI=1S/C14H17N3O5/c1-21-6-3-5-15-8-11-12(18)16-14(20)17(13(11)19)9-10-4-2-7-22-10/h2,4,7-8,19H,3,5-6,9H2,1H3,(H,16,18,20)/b15-8+
InChIKeyGFLZODYRRFYHIB-OVCLIPMQSA-N
MW307.31 g/mol
LogP0.34
Rot. Bonds7

About 1-(furan-2-ylmethyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione

1-(furan-2-ylmethyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione (PubChem CID 4302922) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione
PubChem CID4302922
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name1-(furan-2-ylmethyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione
SMILESCOCCC/N=C/c1c(O)n(Cc2ccco2)c(=O)[nH]c1=O
InChIInChI=1S/C14H17N3O5/c1-21-6-3-5-15-8-11-12(18)16-14(20)17(13(11)19)9-10-4-2-7-22-10/h2,4,7-8,19H,3,5-6,9H2,1H3,(H,16,18,20)/b15-8+
InChIKeyGFLZODYRRFYHIB-OVCLIPMQSA-N
XLogP0.34
TPSA109.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(ethyliminomethyl)-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 137144670
1-(furan-2-ylmethyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 137045248
1-(furan-2-ylmethyl)-6-hydroxy-5-[[(2R)-oxolan-2-yl]methyliminomethyl]pyrimidine-2,4-dione
CID 135895118
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-[(4-phenoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 137144727
1-(furan-2-ylmethyl)-6-hydroxy-5-[(2-propan-2-ylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 3593135
5-[[4-(diethylamino)phenyl]iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 3741391
N-[(Z)-[1-(furan-2-ylmethyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
CID 137289257
5-[(5-chloro-2-methylphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 137144724
1-(4-chlorophenyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione
CID 135628532
5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 4992665
(3R)-3-(4-chlorophenyl)-4-[[6-hydroxy-1-(3-methoxypropyl)-2,4-dioxopyrimidin-5-yl]methylideneamino]butanoic acid
CID 135895725

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(furan-2-ylmethyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione (CID 4302922) is 1-(furan-2-ylmethyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(furan-2-ylmethyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(furan-2-ylmethyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione is COCCC/N=C/c1c(O)n(Cc2ccco2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(furan-2-ylmethyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione?
The InChIKey is GFLZODYRRFYHIB-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-21-6-3-5-15-8-11-12(18)16-14(20)17(13(11)19)9-10-4-2-7-22-10/h2,4,7-8,19H,3,5-6,9H2,1H3,(H,16,18,20)/b15-8+.
What are the key properties of 1-(furan-2-ylmethyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione?
1-(furan-2-ylmethyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione has a molecular weight of 307.31 g/mol, XLogP of 0.34, 7 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-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 4302922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).