6-hydroxy-1-(2-phenylethyl)-3-propan-2-yl-5-[(E)-pyrimidin-2-yliminomethyl]pyrimidine-2,4-dione

C20H21N5O3 — CID 171984246

IUPAC6-hydroxy-1-(2-phenylethyl)-3-propan-2-yl-5-[(E)-pyrimidin-2-yliminomethyl]pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)c(/C=N/c2ncccn2)c(O)n(CCc2ccccc2)c1=O
InChIInChI=1S/C20H21N5O3/c1-14(2)25-18(27)16(13-23-19-21-10-6-11-22-19)17(26)24(20(25)28)12-9-15-7-4-3-5-8-15/h3-8,10-11,13-14,26H,9,12H2,1-2H3/b23-13+
InChIKeyZNAVRMMWLNVATN-YDZHTSKRSA-N
MW379.42 g/mol
LogP2.08
Rot. Bonds6

About 6-hydroxy-1-(2-phenylethyl)-3-propan-2-yl-5-[(E)-pyrimidin-2-yliminomethyl]pyrimidine-2,4-dione

6-hydroxy-1-(2-phenylethyl)-3-propan-2-yl-5-[(E)-pyrimidin-2-yliminomethyl]pyrimidine-2,4-dione (PubChem CID 171984246) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-hydroxy-1-(2-phenylethyl)-3-propan-2-yl-5-[(E)-pyrimidin-2-yliminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(2-phenylethyl)-3-propan-2-yl-5-[(E)-pyrimidin-2-yliminomethyl]pyrimidine-2,4-dione
PubChem CID171984246
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name6-hydroxy-1-(2-phenylethyl)-3-propan-2-yl-5-[(E)-pyrimidin-2-yliminomethyl]pyrimidine-2,4-dione
SMILESCC(C)n1c(=O)c(/C=N/c2ncccn2)c(O)n(CCc2ccccc2)c1=O
InChIInChI=1S/C20H21N5O3/c1-14(2)25-18(27)16(13-23-19-21-10-6-11-22-19)17(26)24(20(25)28)12-9-15-7-4-3-5-8-15/h3-8,10-11,13-14,26H,9,12H2,1-2H3/b23-13+
InChIKeyZNAVRMMWLNVATN-YDZHTSKRSA-N
XLogP2.08
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-hydroxy-1-(2-phenylethyl)-3-propan-2-yl-5-[(E)-pyrimidin-2-yliminomethyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-hydroxy-5-methanimidoyl-1,3-bis(2-phenylethyl)pyrimidine-2,4-dione
CID 4244746
3-benzyl-1-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 41233408
6-hydroxy-5-(naphthalen-1-yliminomethyl)-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 137073461
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
5-[(4-ethoxyphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 3410360
3-(2-phenylethyl)-1-propylpyrido[3,2-d]pyrimidine-2,4-dione
CID 16820310
5-[(3-chloro-4-methylphenyl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1-(2-phenylethyl)pyridine-3-carbonitrile
CID 135668801
6-hydroxy-5-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 135895720
5-[(2,4-difluorophenyl)iminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 137075421
2-(2-hydroxyphenyl)-5-(2-methylpropoxy)-3-(2-phenylethyl)pyrido[4,3-d]pyrimidin-4-one
CID 135948806
1-methyl-3-propan-2-ylpyrido[3,2-d]pyrimidine-2,4-dione
CID 146615672

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(2-phenylethyl)-3-propan-2-yl-5-[(E)-pyrimidin-2-yliminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(2-phenylethyl)-3-propan-2-yl-5-[(E)-pyrimidin-2-yliminomethyl]pyrimidine-2,4-dione (CID 171984246) is 6-hydroxy-1-(2-phenylethyl)-3-propan-2-yl-5-[(E)-pyrimidin-2-yliminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(2-phenylethyl)-3-propan-2-yl-5-[(E)-pyrimidin-2-yliminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(2-phenylethyl)-3-propan-2-yl-5-[(E)-pyrimidin-2-yliminomethyl]pyrimidine-2,4-dione is CC(C)n1c(=O)c(/C=N/c2ncccn2)c(O)n(CCc2ccccc2)c1=O.
What is the InChIKey of 6-hydroxy-1-(2-phenylethyl)-3-propan-2-yl-5-[(E)-pyrimidin-2-yliminomethyl]pyrimidine-2,4-dione?
The InChIKey is ZNAVRMMWLNVATN-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-14(2)25-18(27)16(13-23-19-21-10-6-11-22-19)17(26)24(20(25)28)12-9-15-7-4-3-5-8-15/h3-8,10-11,13-14,26H,9,12H2,1-2H3/b23-13+.
What are the key properties of 6-hydroxy-1-(2-phenylethyl)-3-propan-2-yl-5-[(E)-pyrimidin-2-yliminomethyl]pyrimidine-2,4-dione?
6-hydroxy-1-(2-phenylethyl)-3-propan-2-yl-5-[(E)-pyrimidin-2-yliminomethyl]pyrimidine-2,4-dione has a molecular weight of 379.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(2-phenylethyl)-3-propan-2-yl-5-[(E)-pyrimidin-2-yliminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 171984246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).