7-bromo-N-[(4-chlorophenyl)methyl]-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;7-bromo-3-methylpyrazino[1,2-a]pyrimidin-4-one;5-bromopyrazin-2-amine;N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;N-[(4-chlorophenyl)methyl]-7-(3-hydroxyprop-1-ynyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide

C₆₃H₅₀Br₃Cl₃N₁₈O₉ — CID 159670224

About 7-bromo-N-[(4-chlorophenyl)methyl]-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;7-bromo-3-methylpyrazino[1,2-a]pyrimidin-4-one;5-bromopyrazin-2-amine;N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;N-[(4-chlorophenyl)methyl]-7-(3-hydroxyprop-1-ynyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide

7-bromo-N-[(4-chlorophenyl)methyl]-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;7-bromo-3-methylpyrazino[1,2-a]pyrimidin-4-one;5-bromopyrazin-2-amine;N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;N-[(4-chlorophenyl)methyl]-7-(3-hydroxyprop-1-ynyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide (PubChem CID 159670224) has the molecular formula C₆₃H₅₀Br₃Cl₃N₁₈O₉ and a molecular weight of 1549.28 g/mol. Its IUPAC name is 7-bromo-N-[(4-chlorophenyl)methyl]-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;7-bromo-3-methylpyrazino[1,2-a]pyrimidin-4-one;5-bromopyrazin-2-amine;N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;N-[(4-chlorophenyl)methyl]-7-(3-hydroxyprop-1-ynyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 7-bromo-N-[(4-chlorophenyl)methyl]-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;7-bromo-3-methylpyrazino[1,2-a]pyrimidin-4-one;5-bromopyrazin-2-amine;N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;N-[(4-chlorophenyl)methyl]-7-(3-hydroxyprop-1-ynyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide
• PubChem CID: 159670224
• Molecular Formula: C₆₃H₅₀Br₃Cl₃N₁₈O₉
• Molecular Weight: 1549.28 g/mol
• Exact Mass: 1544.06
• IUPAC Name: 7-bromo-N-[(4-chlorophenyl)methyl]-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;7-bromo-3-methylpyrazino[1,2-a]pyrimidin-4-one;5-bromopyrazin-2-amine;N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;N-[(4-chlorophenyl)methyl]-7-(3-hydroxyprop-1-ynyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide
• SMILES: Cc1cnc2cnc(Br)cn2c1=O.Nc1cnc(Br)cn1.O=C(NCc1ccc(Cl)cc1)c1cnc2cnc(Br)cn2c1=O.O=C(NCc1ccc(Cl)cc1)c1cnc2cnc(C#CCO)cn2c1=O.O=C(NCc1ccc(Cl)cc1)c1cnc2cnc(CCCO)cn2c1=O
• InChI: InChI=1S/C18H17ClN4O3.C18H13ClN4O3.C15H10BrClN4O2.C8H6BrN3O.C4H4BrN3/c2*19-13-5-3-12(4-6-13)8-22-17(25)15-9-21-16-10-20-14(2-1-7-24)11-23(16)18(15)26;16-12-8-21-13(7-18-12)19-6-11(15(21)23)14(22)20-5-9-1-3-10(17)4-2-9;1-5-2-11-7-3-10-6(9)4-12(7)8(5)13;5-3-1-8-4(6)2-7-3/h3-6,9-11,24H,1-2,7-8H2,(H,22,25);3-6,9-11,24H,7-8H2,(H,22,25);1-4,6-8H,5H2,(H,20,22);2-4H,1H3;1-2H,(H2,6,8)
• InChIKey: MTXDRNREAZMUPQ-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 368.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1549.28
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(4-chlorophenyl)methyl]-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;7-bromo-3-methylpyrazino[1,2-a]pyrimidin-4-one;5-bromopyrazin-2-amine;N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;N-[(4-chlorophenyl)methyl]-7-(3-hydroxyprop-1-ynyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide?

The IUPAC name of 7-bromo-N-[(4-chlorophenyl)methyl]-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;7-bromo-3-methylpyrazino[1,2-a]pyrimidin-4-one;5-bromopyrazin-2-amine;N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;N-[(4-chlorophenyl)methyl]-7-(3-hydroxyprop-1-ynyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide (CID 159670224) is 7-bromo-N-[(4-chlorophenyl)methyl]-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;7-bromo-3-methylpyrazino[1,2-a]pyrimidin-4-one;5-bromopyrazin-2-amine;N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;N-[(4-chlorophenyl)methyl]-7-(3-hydroxyprop-1-ynyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 7-bromo-N-[(4-chlorophenyl)methyl]-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;7-bromo-3-methylpyrazino[1,2-a]pyrimidin-4-one;5-bromopyrazin-2-amine;N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;N-[(4-chlorophenyl)methyl]-7-(3-hydroxyprop-1-ynyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide?

The canonical SMILES for 7-bromo-N-[(4-chlorophenyl)methyl]-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;7-bromo-3-methylpyrazino[1,2-a]pyrimidin-4-one;5-bromopyrazin-2-amine;N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;N-[(4-chlorophenyl)methyl]-7-(3-hydroxyprop-1-ynyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide is Cc1cnc2cnc(Br)cn2c1=O.Nc1cnc(Br)cn1.O=C(NCc1ccc(Cl)cc1)c1cnc2cnc(Br)cn2c1=O.O=C(NCc1ccc(Cl)cc1)c1cnc2cnc(C#CCO)cn2c1=O.O=C(NCc1ccc(Cl)cc1)c1cnc2cnc(CCCO)cn2c1=O.

What is the InChIKey of 7-bromo-N-[(4-chlorophenyl)methyl]-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;7-bromo-3-methylpyrazino[1,2-a]pyrimidin-4-one;5-bromopyrazin-2-amine;N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;N-[(4-chlorophenyl)methyl]-7-(3-hydroxyprop-1-ynyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide?

The InChIKey is MTXDRNREAZMUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3.C18H13ClN4O3.C15H10BrClN4O2.C8H6BrN3O.C4H4BrN3/c2*19-13-5-3-12(4-6-13)8-22-17(25)15-9-21-16-10-20-14(2-1-7-24)11-23(16)18(15)26;16-12-8-21-13(7-18-12)19-6-11(15(21)23)14(22)20-5-9-1-3-10(17)4-2-9;1-5-2-11-7-3-10-6(9)4-12(7)8(5)13;5-3-1-8-4(6)2-7-3/h3-6,9-11,24H,1-2,7-8H2,(H,22,25);3-6,9-11,24H,7-8H2,(H,22,25);1-4,6-8H,5H2,(H,20,22);2-4H,1H3;1-2H,(H2,6,8).

What are the key properties of 7-bromo-N-[(4-chlorophenyl)methyl]-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;7-bromo-3-methylpyrazino[1,2-a]pyrimidin-4-one;5-bromopyrazin-2-amine;N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;N-[(4-chlorophenyl)methyl]-7-(3-hydroxyprop-1-ynyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide?

7-bromo-N-[(4-chlorophenyl)methyl]-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;7-bromo-3-methylpyrazino[1,2-a]pyrimidin-4-one;5-bromopyrazin-2-amine;N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;N-[(4-chlorophenyl)methyl]-7-(3-hydroxyprop-1-ynyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 1549.28 g/mol, XLogP of 7.03, 12 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-N-[(4-chlorophenyl)methyl]-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;7-bromo-3-methylpyrazino[1,2-a]pyrimidin-4-one;5-bromopyrazin-2-amine;N-[(4-chlorophenyl)methyl]-7-(3-hydroxypropyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide;N-[(4-chlorophenyl)methyl]-7-(3-hydroxyprop-1-ynyl)-4-oxopyrazino[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159670224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159670224 — identifiers, structure, computed properties (public domain)

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