3-[(2R)-2-amino-2-phenylethyl]-1-benzyl-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione

C26H24FN3O2 — CID 11421385

IUPAC3-[(2R)-2-amino-2-phenylethyl]-1-benzyl-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione
SMILESCc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C26H24FN3O2/c1-18-24(21-14-8-9-15-22(21)27)25(31)30(17-23(28)20-12-6-3-7-13-20)26(32)29(18)16-19-10-4-2-5-11-19/h2-15,23H,16-17,28H2,1H3/t23-/m0/s1
InChIKeyZDCNRZJGAXIEDG-QHCPKHFHSA-N
MW429.50 g/mol
LogP3.87
Rot. Bonds6

About 3-[(2R)-2-amino-2-phenylethyl]-1-benzyl-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione

3-[(2R)-2-amino-2-phenylethyl]-1-benzyl-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione (PubChem CID 11421385) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 3-[(2R)-2-amino-2-phenylethyl]-1-benzyl-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-2-amino-2-phenylethyl]-1-benzyl-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione
PubChem CID11421385
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name3-[(2R)-2-amino-2-phenylethyl]-1-benzyl-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione
SMILESCc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C26H24FN3O2/c1-18-24(21-14-8-9-15-22(21)27)25(31)30(17-23(28)20-12-6-3-7-13-20)26(32)29(18)16-19-10-4-2-5-11-19/h2-15,23H,16-17,28H2,1H3/t23-/m0/s1
InChIKeyZDCNRZJGAXIEDG-QHCPKHFHSA-N
XLogP3.87
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-amino-2-phenylethyl]-1-benzyl-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[(2R)-2-amino-2-phenylethyl]-1-benzyl-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione (CID 11421385) is 3-[(2R)-2-amino-2-phenylethyl]-1-benzyl-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2R)-2-amino-2-phenylethyl]-1-benzyl-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(2R)-2-amino-2-phenylethyl]-1-benzyl-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione is Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-[(2R)-2-amino-2-phenylethyl]-1-benzyl-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione?
The InChIKey is ZDCNRZJGAXIEDG-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-18-24(21-14-8-9-15-22(21)27)25(31)30(17-23(28)20-12-6-3-7-13-20)26(32)29(18)16-19-10-4-2-5-11-19/h2-15,23H,16-17,28H2,1H3/t23-/m0/s1.
What are the key properties of 3-[(2R)-2-amino-2-phenylethyl]-1-benzyl-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione?
3-[(2R)-2-amino-2-phenylethyl]-1-benzyl-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione has a molecular weight of 429.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-amino-2-phenylethyl]-1-benzyl-5-(2-fluorophenyl)-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11421385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).