3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-morpholin-4-ylpyrimidine-2,4-dione

C24H26F2N4O3 — CID 67144433

About 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-morpholin-4-ylpyrimidine-2,4-dione

3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-morpholin-4-ylpyrimidine-2,4-dione (PubChem CID 67144433) has the molecular formula C24H26F2N4O3 and a molecular weight of 456.49 g/mol. Its IUPAC name is 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-morpholin-4-ylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-morpholin-4-ylpyrimidine-2,4-dione
• PubChem CID: 67144433
• Molecular Formula: C24H26F2N4O3
• Molecular Weight: 456.49 g/mol
• Exact Mass: 456.20
• IUPAC Name: 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-morpholin-4-ylpyrimidine-2,4-dione
• SMILES: Cc1c(N2CCOCC2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
• InChI: InChI=1S/C24H26F2N4O3/c1-16-22(28-10-12-33-13-11-28)23(31)30(15-21(27)17-6-3-2-4-7-17)24(32)29(16)14-18-19(25)8-5-9-20(18)26/h2-9,21H,10-15,27H2,1H3/t21-/m0/s1
• InChIKey: BVBJTSDKWIWDSQ-NRFANRHFSA-N
• XLogP: 2.18
• TPSA: 82.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.49
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-morpholin-4-ylpyrimidine-2,4-dione?

The IUPAC name of 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-morpholin-4-ylpyrimidine-2,4-dione (CID 67144433) is 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-morpholin-4-ylpyrimidine-2,4-dione.

What is the SMILES notation for 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-morpholin-4-ylpyrimidine-2,4-dione?

The canonical SMILES for 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-morpholin-4-ylpyrimidine-2,4-dione is Cc1c(N2CCOCC2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F.

What is the InChIKey of 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-morpholin-4-ylpyrimidine-2,4-dione?

The InChIKey is BVBJTSDKWIWDSQ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26F2N4O3/c1-16-22(28-10-12-33-13-11-28)23(31)30(15-21(27)17-6-3-2-4-7-17)24(32)29(16)14-18-19(25)8-5-9-20(18)26/h2-9,21H,10-15,27H2,1H3/t21-/m0/s1.

What are the key properties of 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-morpholin-4-ylpyrimidine-2,4-dione?

3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-morpholin-4-ylpyrimidine-2,4-dione has a molecular weight of 456.49 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-morpholin-4-ylpyrimidine-2,4-dione is sourced from PubChem (CID 67144433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).