5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione

C19H15F2N3O3 — CID 137075421

IUPAC5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCc2ccccc2)c(O)c1/C=N/c1ccc(F)cc1F
InChIInChI=1S/C19H15F2N3O3/c20-13-6-7-16(15(21)10-13)22-11-14-17(25)23-19(27)24(18(14)26)9-8-12-4-2-1-3-5-12/h1-7,10-11,26H,8-9H2,(H,23,25,27)/b22-11+
InChIKeyHYGVEDOXWMFKIV-SSDVNMTOSA-N
MW371.34 g/mol
LogP2.51
Rot. Bonds5

About 5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione

5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione (PubChem CID 137075421) has the molecular formula C19H15F2N3O3 and a molecular weight of 371.34 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
PubChem CID137075421
Molecular FormulaC19H15F2N3O3
Molecular Weight371.34 g/mol
Exact Mass371.11
IUPAC Name5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCc2ccccc2)c(O)c1/C=N/c1ccc(F)cc1F
InChIInChI=1S/C19H15F2N3O3/c20-13-6-7-16(15(21)10-13)22-11-14-17(25)23-19(27)24(18(14)26)9-8-12-4-2-1-3-5-12/h1-7,10-11,26H,8-9H2,(H,23,25,27)/b22-11+
InChIKeyHYGVEDOXWMFKIV-SSDVNMTOSA-N
XLogP2.51
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 52.51
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

6-hydroxy-5-(naphthalen-1-yliminomethyl)-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 137073461
5-[(4-bromo-3-chlorophenyl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 137069856
1-[2-(4-fluorophenyl)ethyl]-6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]pyrimidine-2,4-dione
CID 135429763
4-[[6-hydroxy-2,4-dioxo-1-(2-phenylethyl)pyrimidin-5-yl]methylideneamino]-3-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 137070678
1-[2-(4-fluorophenyl)ethyl]-6-hydroxy-5-[(E)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]pyrimidine-2,4-dione
CID 135562054
5-[[(1S,2R)-2-aminocyclohexyl]iminomethyl]-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
CID 135889457
N-(2-bromophenyl)-4-[[6-hydroxy-2,4-dioxo-1-(2-phenylethyl)pyrimidin-5-yl]methylideneamino]benzenesulfonamide
CID 137070684
1-[2-(4-fluorophenyl)ethyl]-6-hydroxy-5-(3-imidazol-1-ylpropyliminomethyl)pyrimidine-2,4-dione
CID 3835002
5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 979339
5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
CID 115946414
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]pyrimidine-2,4-dione
CID 135900847
1-(4-fluorophenyl)-6-hydroxy-5-[(2-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844632

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione (CID 137075421) is 5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCc2ccccc2)c(O)c1/C=N/c1ccc(F)cc1F.
What is the InChIKey of 5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
The InChIKey is HYGVEDOXWMFKIV-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H15F2N3O3/c20-13-6-7-16(15(21)10-13)22-11-14-17(25)23-19(27)24(18(14)26)9-8-12-4-2-1-3-5-12/h1-7,10-11,26H,8-9H2,(H,23,25,27)/b22-11+.
What are the key properties of 5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione has a molecular weight of 371.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 137075421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).