5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione

C16H12ClN3O5 — CID 4992665

IUPAC5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccco2)c(O)c1/C=N/c1cc(Cl)ccc1O
InChIInChI=1S/C16H12ClN3O5/c17-9-3-4-13(21)12(6-9)18-7-11-14(22)19-16(24)20(15(11)23)8-10-2-1-5-25-10/h1-7,21,23H,8H2,(H,19,22,24)/b18-7+
InChIKeyZSAQFEYPWHDCGV-CNHKJKLMSA-N
MW361.74 g/mol
LogP1.99
Rot. Bonds4

About 5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione

5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 4992665) has the molecular formula C16H12ClN3O5 and a molecular weight of 361.74 g/mol. Its IUPAC name is 5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID4992665
Molecular FormulaC16H12ClN3O5
Molecular Weight361.74 g/mol
Exact Mass361.05
IUPAC Name5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccco2)c(O)c1/C=N/c1cc(Cl)ccc1O
InChIInChI=1S/C16H12ClN3O5/c17-9-3-4-13(21)12(6-9)18-7-11-14(22)19-16(24)20(15(11)23)8-10-2-1-5-25-10/h1-7,21,23H,8H2,(H,19,22,24)/b18-7+
InChIKeyZSAQFEYPWHDCGV-CNHKJKLMSA-N
XLogP1.99
TPSA120.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.74
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[(5-chloro-2-methylphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 137144724
1-(furan-2-ylmethyl)-6-hydroxy-5-[(2-propan-2-ylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 3593135
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-[(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
1-(furan-2-ylmethyl)-6-hydroxy-5-(3-methoxypropyliminomethyl)pyrimidine-2,4-dione
CID 4302922
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
N-[(Z)-[1-(furan-2-ylmethyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]pyridine-4-carboxamide
CID 137289257
1-(4-bromo-2-ethylphenyl)-5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 137073331
1-(furan-2-ylmethyl)-6-hydroxy-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]iminomethyl]pyrimidine-2,4-dione
CID 135915594

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione (CID 4992665) is 5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccco2)c(O)c1/C=N/c1cc(Cl)ccc1O.
What is the InChIKey of 5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is ZSAQFEYPWHDCGV-CNHKJKLMSA-N. The full InChI is InChI=1S/C16H12ClN3O5/c17-9-3-4-13(21)12(6-9)18-7-11-14(22)19-16(24)20(15(11)23)8-10-2-1-5-25-10/h1-7,21,23H,8H2,(H,19,22,24)/b18-7+.
What are the key properties of 5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione?
5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 361.74 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-hydroxyphenyl)iminomethyl]-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 4992665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).