6-hydroxy-5-methanimidoyl-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione

C21H21N3O3 — CID 4244746

IUPAC6-hydroxy-5-methanimidoyl-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione
SMILES[H]/N=C/c1c(O)n(CCc2ccccc2)c(=O)n(CCc2ccccc2)c1=O
InChIInChI=1S/C21H21N3O3/c22-15-18-19(25)23(13-11-16-7-3-1-4-8-16)21(27)24(20(18)26)14-12-17-9-5-2-6-10-17/h1-10,15,22,25H,11-14H2/b22-15+
InChIKeyZNBKUWNVBIYNEH-PXLXIMEGSA-N
MW363.42 g/mol
LogP2.20
Rot. Bonds7

About 6-hydroxy-5-methanimidoyl-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione

6-hydroxy-5-methanimidoyl-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione (PubChem CID 4244746) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-hydroxy-5-methanimidoyl-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-methanimidoyl-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione
PubChem CID4244746
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name6-hydroxy-5-methanimidoyl-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione
SMILES[H]/N=C/c1c(O)n(CCc2ccccc2)c(=O)n(CCc2ccccc2)c1=O
InChIInChI=1S/C21H21N3O3/c22-15-18-19(25)23(13-11-16-7-3-1-4-8-16)21(27)24(20(18)26)14-12-17-9-5-2-6-10-17/h1-10,15,22,25H,11-14H2/b22-15+
InChIKeyZNBKUWNVBIYNEH-PXLXIMEGSA-N
XLogP2.20
TPSA88.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-1-(2-phenylethyl)-3-propan-2-yl-5-[(E)-pyrimidin-2-yliminomethyl]pyrimidine-2,4-dione
CID 171984246
5-fluoro-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione
CID 130246360
6,7-dimethoxy-1-phenacyl-3-(2-phenylethyl)quinazoline-2,4-dione
CID 15992644
5-[(4-fluorophenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 979339
5-[(4-ethylphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 135669241
3-cyclohexyl-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 91386998
6-hydroxy-5-(naphthalen-1-yliminomethyl)-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 137073461
1-[2-(4-tert-butylphenyl)ethyl]-6-hydroxy-3-(2-phenylethyl)pyrimidine-2,4-dione
CID 91209277
2-[2,4-dioxo-3-(2-phenylethyl)thieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486443
3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione
CID 16820310
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide
CID 51046638
5-[(3-chloro-4-methylphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 135668801

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methanimidoyl-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-methanimidoyl-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione (CID 4244746) is 6-hydroxy-5-methanimidoyl-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-methanimidoyl-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-methanimidoyl-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione is [H]/N=C/c1c(O)n(CCc2ccccc2)c(=O)n(CCc2ccccc2)c1=O.
What is the InChIKey of 6-hydroxy-5-methanimidoyl-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione?
The InChIKey is ZNBKUWNVBIYNEH-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H21N3O3/c22-15-18-19(25)23(13-11-16-7-3-1-4-8-16)21(27)24(20(18)26)14-12-17-9-5-2-6-10-17/h1-10,15,22,25H,11-14H2/b22-15+.
What are the key properties of 6-hydroxy-5-methanimidoyl-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione?
6-hydroxy-5-methanimidoyl-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione has a molecular weight of 363.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methanimidoyl-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 4244746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).