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

C25H23FN4O2 — CID 11238091

IUPAC3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione
SMILESCc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccn1
InChIInChI=1S/C25H23FN4O2/c1-17-23(20-12-5-6-13-21(20)26)24(31)30(16-22(27)18-9-3-2-4-10-18)25(32)29(17)15-19-11-7-8-14-28-19/h2-14,22H,15-16,27H2,1H3/t22-/m0/s1
InChIKeyZNOSSYNGGCPWQR-QFIPXVFZSA-N
MW430.48 g/mol
LogP3.27
Rot. Bonds6

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

3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 11238091) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID11238091
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione
SMILESCc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccn1
InChIInChI=1S/C25H23FN4O2/c1-17-23(20-12-5-6-13-21(20)26)24(31)30(16-22(27)18-9-3-2-4-10-18)25(32)29(17)15-19-11-7-8-14-28-19/h2-14,22H,15-16,27H2,1H3/t22-/m0/s1
InChIKeyZNOSSYNGGCPWQR-QFIPXVFZSA-N
XLogP3.27
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 53.27
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)-6-methyl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione (CID 11238091) is 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione is Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccn1.
What is the InChIKey of 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is ZNOSSYNGGCPWQR-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-17-23(20-12-5-6-13-21(20)26)24(31)30(16-22(27)18-9-3-2-4-10-18)25(32)29(17)15-19-11-7-8-14-28-19/h2-14,22H,15-16,27H2,1H3/t22-/m0/s1.
What are the key properties of 3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione?
3-[(2R)-2-amino-2-phenylethyl]-5-(2-fluorophenyl)-6-methyl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 430.48 g/mol, XLogP of 3.27, 6 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)-6-methyl-1-(pyridin-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11238091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).