2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-(5-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide

C23H27FN6O4 — CID 10227093

IUPAC2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-(5-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCCCCc1nnc(C(=O)[C@@H](NC(=O)Cn2c(-c3ccc(F)cc3)ncc(N)c2=O)C(C)C)o1
InChIInChI=1S/C23H27FN6O4/c1-4-5-6-18-28-29-22(34-18)20(32)19(13(2)3)27-17(31)12-30-21(26-11-16(25)23(30)33)14-7-9-15(24)10-8-14/h7-11,13,19H,4-6,12,25H2,1-3H3,(H,27,31)/t19-/m0/s1
InChIKeyOZNABUFLGPLWMM-IBGZPJMESA-N
MW470.51 g/mol
LogP2.38
Rot. Bonds10

About 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-(5-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide

2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-(5-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide (PubChem CID 10227093) has the molecular formula C23H27FN6O4 and a molecular weight of 470.51 g/mol. Its IUPAC name is 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-(5-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-(5-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide
PubChem CID10227093
Molecular FormulaC23H27FN6O4
Molecular Weight470.51 g/mol
Exact Mass470.21
IUPAC Name2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-(5-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide
SMILESCCCCc1nnc(C(=O)[C@@H](NC(=O)Cn2c(-c3ccc(F)cc3)ncc(N)c2=O)C(C)C)o1
InChIInChI=1S/C23H27FN6O4/c1-4-5-6-18-28-29-22(34-18)20(32)19(13(2)3)27-17(31)12-30-21(26-11-16(25)23(30)33)14-7-9-15(24)10-8-14/h7-11,13,19H,4-6,12,25H2,1-3H3,(H,27,31)/t19-/m0/s1
InChIKeyOZNABUFLGPLWMM-IBGZPJMESA-N
XLogP2.38
TPSA146.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-(5-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
The IUPAC name of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-(5-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide (CID 10227093) is 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-(5-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-(5-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
The canonical SMILES for 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-(5-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide is CCCCc1nnc(C(=O)[C@@H](NC(=O)Cn2c(-c3ccc(F)cc3)ncc(N)c2=O)C(C)C)o1.
What is the InChIKey of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-(5-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
The InChIKey is OZNABUFLGPLWMM-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27FN6O4/c1-4-5-6-18-28-29-22(34-18)20(32)19(13(2)3)27-17(31)12-30-21(26-11-16(25)23(30)33)14-7-9-15(24)10-8-14/h7-11,13,19H,4-6,12,25H2,1-3H3,(H,27,31)/t19-/m0/s1.
What are the key properties of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-(5-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide?
2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-(5-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide has a molecular weight of 470.51 g/mol, XLogP of 2.38, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-1-(5-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 10227093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).