8-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide

C19H22FN5O4 — CID 54684201

IUPAC8-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESCC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1CC(N)=O
InChIInChI=1S/C19H22FN5O4/c1-19(2)18-23-14(16(28)22-9-11-3-5-12(20)6-4-11)15(27)17(29)25(18)8-7-24(19)10-13(21)26/h3-6,27H,7-10H2,1-2H3,(H2,21,26)(H,22,28)
InChIKeyBKXKYZADTBYFKB-UHFFFAOYSA-N
MW403.41 g/mol
LogP0.05
Rot. Bonds5

About 8-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide

8-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54684201) has the molecular formula C19H22FN5O4 and a molecular weight of 403.41 g/mol. Its IUPAC name is 8-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name8-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
PubChem CID54684201
Molecular FormulaC19H22FN5O4
Molecular Weight403.41 g/mol
Exact Mass403.17
IUPAC Name8-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
SMILESCC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1CC(N)=O
InChIInChI=1S/C19H22FN5O4/c1-19(2)18-23-14(16(28)22-9-11-3-5-12(20)6-4-11)15(27)17(29)25(18)8-7-24(19)10-13(21)26/h3-6,27H,7-10H2,1-2H3,(H2,21,26)(H,22,28)
InChIKeyBKXKYZADTBYFKB-UHFFFAOYSA-N
XLogP0.05
TPSA130.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 8-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide (CID 54684201) is 8-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 8-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 8-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide is CC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1CC(N)=O.
What is the InChIKey of 8-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is BKXKYZADTBYFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O4/c1-19(2)18-23-14(16(28)22-9-11-3-5-12(20)6-4-11)15(27)17(29)25(18)8-7-24(19)10-13(21)26/h3-6,27H,7-10H2,1-2H3,(H2,21,26)(H,22,28).
What are the key properties of 8-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide?
8-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-2-oxoethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54684201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).