7-bromo-9-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one

C15H10BrClFN3O — CID 176675689

IUPAC7-bromo-9-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(-c3ccc(Cl)cc3F)nc(Br)cn2c(=O)c1C
InChIInChI=1S/C15H10BrClFN3O/c1-7-8(2)19-14-13(10-4-3-9(17)5-11(10)18)20-12(16)6-21(14)15(7)22/h3-6H,1-2H3
InChIKeyYRFVSAVXSHYDKV-UHFFFAOYSA-N
MW382.62 g/mol
LogP3.93
Rot. Bonds1

About 7-bromo-9-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one

7-bromo-9-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one (PubChem CID 176675689) has the molecular formula C15H10BrClFN3O and a molecular weight of 382.62 g/mol. Its IUPAC name is 7-bromo-9-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-9-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one
PubChem CID176675689
Molecular FormulaC15H10BrClFN3O
Molecular Weight382.62 g/mol
Exact Mass380.97
IUPAC Name7-bromo-9-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one
SMILESCc1nc2c(-c3ccc(Cl)cc3F)nc(Br)cn2c(=O)c1C
InChIInChI=1S/C15H10BrClFN3O/c1-7-8(2)19-14-13(10-4-3-9(17)5-11(10)18)20-12(16)6-21(14)15(7)22/h3-6H,1-2H3
InChIKeyYRFVSAVXSHYDKV-UHFFFAOYSA-N
XLogP3.93
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.62
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-9-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-9-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one (CID 176675689) is 7-bromo-9-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-9-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-9-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one is Cc1nc2c(-c3ccc(Cl)cc3F)nc(Br)cn2c(=O)c1C.
What is the InChIKey of 7-bromo-9-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is YRFVSAVXSHYDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFN3O/c1-7-8(2)19-14-13(10-4-3-9(17)5-11(10)18)20-12(16)6-21(14)15(7)22/h3-6H,1-2H3.
What are the key properties of 7-bromo-9-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one?
7-bromo-9-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 382.62 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-9-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 176675689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).