1-[2-[bis[(1R)-1-phenylethyl]amino]-1-methoxyethyl]pyrimidine-2,4-dione

C23H27N3O3 — CID 10949247

IUPAC1-[2-[bis[(1R)-1-phenylethyl]amino]-1-methoxyethyl]pyrimidine-2,4-dione
SMILESCOC(CN([C@H](C)c1ccccc1)[C@H](C)c1ccccc1)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C23H27N3O3/c1-17(19-10-6-4-7-11-19)26(18(2)20-12-8-5-9-13-20)16-22(29-3)25-15-14-21(27)24-23(25)28/h4-15,17-18,22H,16H2,1-3H3,(H,24,27,28)/t17-,18-,22?/m1/s1
InChIKeyHQFQQCMJHZJAGP-XWATYHNTSA-N
MW393.49 g/mol
LogP3.51
Rot. Bonds8

About 1-[2-[bis[(1R)-1-phenylethyl]amino]-1-methoxyethyl]pyrimidine-2,4-dione

1-[2-[bis[(1R)-1-phenylethyl]amino]-1-methoxyethyl]pyrimidine-2,4-dione (PubChem CID 10949247) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[2-[bis[(1R)-1-phenylethyl]amino]-1-methoxyethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[bis[(1R)-1-phenylethyl]amino]-1-methoxyethyl]pyrimidine-2,4-dione
PubChem CID10949247
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-[2-[bis[(1R)-1-phenylethyl]amino]-1-methoxyethyl]pyrimidine-2,4-dione
SMILESCOC(CN([C@H](C)c1ccccc1)[C@H](C)c1ccccc1)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C23H27N3O3/c1-17(19-10-6-4-7-11-19)26(18(2)20-12-8-5-9-13-20)16-22(29-3)25-15-14-21(27)24-23(25)28/h4-15,17-18,22H,16H2,1-3H3,(H,24,27,28)/t17-,18-,22?/m1/s1
InChIKeyHQFQQCMJHZJAGP-XWATYHNTSA-N
XLogP3.51
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[bis[(1R)-1-phenylethyl]amino]-1-methoxyethyl]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

1-(1-methoxypropyl)pyrimidine-2,4-dione
CID 123872593
1-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-2,4-dione
CID 102016797
N-[(2R)-2-(2,4-dioxopyrimidin-1-yl)-2-methoxyethyl]-N-[2-(hydroxymethyl)phenyl]-4-nitrobenzenesulfonamide
CID 101395560
3-(2,4-dioxopyrimidin-1-yl)-N-methoxy-N-[(1R)-1-phenylethyl]propane-1-sulfonamide
CID 44544654
1-[(1R)-1-[(2S)-1-hydroxypropan-2-yl]oxypropyl]pyrimidine-2,4-dione
CID 71083212
1-pentan-3-ylpyrimidine-2,4-dione
CID 91224356
1-[1-(2-hydroxyethoxy)-2-methoxyethyl]pyrimidine-2,4-dione
CID 167508864
1-[(1R)-1-[(2S)-1-methoxypropan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 174092745
1-[2-[(3-methyl-2-phenylbutyl)amino]ethyl]pyrimidine-2,4-dione
CID 154769752
3-(2,4-dioxopyrimidin-1-yl)-N-[(1S)-1-phenylethyl]propane-1-sulfinamide
CID 135219919
1-(1-hydroxy-2-methylpropyl)pyrimidine-2,4-dione
CID 123506257
1-[2-hydroxy-1-[(2R)-1-hydroxybutan-2-yl]oxyethyl]pyrimidine-2,4-dione
CID 160757174

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis[(1R)-1-phenylethyl]amino]-1-methoxyethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-[bis[(1R)-1-phenylethyl]amino]-1-methoxyethyl]pyrimidine-2,4-dione (CID 10949247) is 1-[2-[bis[(1R)-1-phenylethyl]amino]-1-methoxyethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[bis[(1R)-1-phenylethyl]amino]-1-methoxyethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[bis[(1R)-1-phenylethyl]amino]-1-methoxyethyl]pyrimidine-2,4-dione is COC(CN([C@H](C)c1ccccc1)[C@H](C)c1ccccc1)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-[2-[bis[(1R)-1-phenylethyl]amino]-1-methoxyethyl]pyrimidine-2,4-dione?
The InChIKey is HQFQQCMJHZJAGP-XWATYHNTSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17(19-10-6-4-7-11-19)26(18(2)20-12-8-5-9-13-20)16-22(29-3)25-15-14-21(27)24-23(25)28/h4-15,17-18,22H,16H2,1-3H3,(H,24,27,28)/t17-,18-,22?/m1/s1.
What are the key properties of 1-[2-[bis[(1R)-1-phenylethyl]amino]-1-methoxyethyl]pyrimidine-2,4-dione?
1-[2-[bis[(1R)-1-phenylethyl]amino]-1-methoxyethyl]pyrimidine-2,4-dione has a molecular weight of 393.49 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis[(1R)-1-phenylethyl]amino]-1-methoxyethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 10949247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).