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

C27H26FN3O2 — CID 11284357

IUPAC3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESCc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1CCc1ccccc1
InChIInChI=1S/C27H26FN3O2/c1-19-25(22-14-8-9-15-23(22)28)26(32)31(18-24(29)21-12-6-3-7-13-21)27(33)30(19)17-16-20-10-4-2-5-11-20/h2-15,24H,16-18,29H2,1H3/t24-/m0/s1
InChIKeySYEGOSYIBVBLEY-DEOSSOPVSA-N
MW443.52 g/mol
LogP4.07
Rot. Bonds7

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

3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(2-phenylethyl)pyrimidine-2,4-dione (PubChem CID 11284357) has the molecular formula C27H26FN3O2 and a molecular weight of 443.52 g/mol. Its IUPAC name is 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(2-phenylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(2-phenylethyl)pyrimidine-2,4-dione
PubChem CID11284357
Molecular FormulaC27H26FN3O2
Molecular Weight443.52 g/mol
Exact Mass443.20
IUPAC Name3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESCc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1CCc1ccccc1
InChIInChI=1S/C27H26FN3O2/c1-19-25(22-14-8-9-15-23(22)28)26(32)31(18-24(29)21-12-6-3-7-13-21)27(33)30(19)17-16-20-10-4-2-5-11-20/h2-15,24H,16-18,29H2,1H3/t24-/m0/s1
InChIKeySYEGOSYIBVBLEY-DEOSSOPVSA-N
XLogP4.07
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 54.07
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]-5-(2-fluorophenyl)-6-methyl-1-(2-phenylethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(2-phenylethyl)pyrimidine-2,4-dione (CID 11284357) is 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(2-phenylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(2-phenylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(2-phenylethyl)pyrimidine-2,4-dione is Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1CCc1ccccc1.
What is the InChIKey of 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(2-phenylethyl)pyrimidine-2,4-dione?
The InChIKey is SYEGOSYIBVBLEY-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H26FN3O2/c1-19-25(22-14-8-9-15-23(22)28)26(32)31(18-24(29)21-12-6-3-7-13-21)27(33)30(19)17-16-20-10-4-2-5-11-20/h2-15,24H,16-18,29H2,1H3/t24-/m0/s1.
What are the key properties of 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(2-phenylethyl)pyrimidine-2,4-dione?
3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(2-phenylethyl)pyrimidine-2,4-dione has a molecular weight of 443.52 g/mol, XLogP of 4.07, 7 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]-5-(2-fluorophenyl)-6-methyl-1-(2-phenylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11284357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).