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

C20H21FN6O4 — CID 10113382

IUPAC2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]acetamide
SMILESCc1nnc(C(=O)[C@@H](NC(=O)Cn2c(-c3ccc(F)cc3)ncc(N)c2=O)C(C)C)o1
InChIInChI=1S/C20H21FN6O4/c1-10(2)16(17(29)19-26-25-11(3)31-19)24-15(28)9-27-18(23-8-14(22)20(27)30)12-4-6-13(21)7-5-12/h4-8,10,16H,9,22H2,1-3H3,(H,24,28)/t16-/m0/s1
InChIKeyLEXJSXKKHDABRR-INIZCTEOSA-N
MW428.42 g/mol
LogP1.35
Rot. Bonds7

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

2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]acetamide (PubChem CID 10113382) has the molecular formula C20H21FN6O4 and a molecular weight of 428.42 g/mol. Its IUPAC name is 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]acetamide
PubChem CID10113382
Molecular FormulaC20H21FN6O4
Molecular Weight428.42 g/mol
Exact Mass428.16
IUPAC Name2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]acetamide
SMILESCc1nnc(C(=O)[C@@H](NC(=O)Cn2c(-c3ccc(F)cc3)ncc(N)c2=O)C(C)C)o1
InChIInChI=1S/C20H21FN6O4/c1-10(2)16(17(29)19-26-25-11(3)31-19)24-15(28)9-27-18(23-8-14(22)20(27)30)12-4-6-13(21)7-5-12/h4-8,10,16H,9,22H2,1-3H3,(H,24,28)/t16-/m0/s1
InChIKeyLEXJSXKKHDABRR-INIZCTEOSA-N
XLogP1.35
TPSA146.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 51.35
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)-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]acetamide?
The IUPAC name of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]acetamide (CID 10113382) is 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]acetamide?
The canonical SMILES for 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]acetamide is Cc1nnc(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)-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]acetamide?
The InChIKey is LEXJSXKKHDABRR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21FN6O4/c1-10(2)16(17(29)19-26-25-11(3)31-19)24-15(28)9-27-18(23-8-14(22)20(27)30)12-4-6-13(21)7-5-12/h4-8,10,16H,9,22H2,1-3H3,(H,24,28)/t16-/m0/s1.
What are the key properties of 2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]acetamide?
2-[5-amino-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-[(2S)-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]acetamide has a molecular weight of 428.42 g/mol, XLogP of 1.35, 7 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)-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 10113382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).