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

C27H26FN3O3 — CID 11330603

IUPAC3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-dione
SMILESCOc1ccccc1Cn1c(C)c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
InChIInChI=1S/C27H26FN3O3/c1-18-25(21-13-7-8-14-22(21)28)26(32)31(17-23(29)19-10-4-3-5-11-19)27(33)30(18)16-20-12-6-9-15-24(20)34-2/h3-15,23H,16-17,29H2,1-2H3/t23-/m0/s1
InChIKeyLUSVRJUVWGOGKU-QHCPKHFHSA-N
MW459.52 g/mol
LogP3.88
Rot. Bonds7

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

3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-dione (PubChem CID 11330603) has the molecular formula C27H26FN3O3 and a molecular weight of 459.52 g/mol. Its IUPAC name is 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-dione
PubChem CID11330603
Molecular FormulaC27H26FN3O3
Molecular Weight459.52 g/mol
Exact Mass459.20
IUPAC Name3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-dione
SMILESCOc1ccccc1Cn1c(C)c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O
InChIInChI=1S/C27H26FN3O3/c1-18-25(21-13-7-8-14-22(21)28)26(32)31(17-23(29)19-10-4-3-5-11-19)27(33)30(18)16-20-12-6-9-15-24(20)34-2/h3-15,23H,16-17,29H2,1-2H3/t23-/m0/s1
InChIKeyLUSVRJUVWGOGKU-QHCPKHFHSA-N
XLogP3.88
TPSA79.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-dione (CID 11330603) is 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-dione is COc1ccccc1Cn1c(C)c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c1=O.
What is the InChIKey of 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-dione?
The InChIKey is LUSVRJUVWGOGKU-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H26FN3O3/c1-18-25(21-13-7-8-14-22(21)28)26(32)31(17-23(29)19-10-4-3-5-11-19)27(33)30(18)16-20-12-6-9-15-24(20)34-2/h3-15,23H,16-17,29H2,1-2H3/t23-/m0/s1.
What are the key properties of 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-dione?
3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-dione has a molecular weight of 459.52 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11330603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).